N-methyl-alpha-berbine (Q27122106)

(13aS)-7-methyl-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolinium (English)

6 October 2016

chemical formula

C₁₈H₂₀N⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C[N+]12CCC3=CC=CC=C3C1CC4=CC=CC=C4C2

1 reference

(13aS)-7-methyl-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolinium (English)

6 October 2016

isomeric SMILES

C[N+]12CCC3=CC=CC=C3[C@@H]1CC4=CC=CC=C4C2

1 reference

(13aS)-7-methyl-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolinium (English)

InChI=1S/C18H20N/c1-19-11-10-14-6-4-5-9-17(14)18(19)12-15-7-2-3-8-16(15)13-19/h2-9,18H,10-13H2,1H3/q+1/t18-,19?/m0/s1

6 October 2016

Identifiers

InChI

1 reference

(13aS)-7-methyl-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolinium (English)

YXEKXCPIKGSIDD-OYKVQYDMSA-N

6 October 2016

InChIKey

2 references

(13aS)-7-methyl-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolinium (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(13aS)-7-Methyl-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinolinium (English)

6 October 2016

2 references

(13aS)-7-methyl-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolinium (English)

matched by identifier from

6 October 2016

InChIKey

YXEKXCPIKGSIDD-OYKVQYDMSA-N

Reaxys registry number

6146911

1 reference

N-methyl-alpha-berbine (English)

6 October 2016

ChEBI ID

50538

mapping relation type

2 references

N-methyl-alpha-berbine (English)