complanine (Q908165)

CHEMBL1198989 (English)

21 September 2016

chemical formula

C₁₈H₃₅N₂O₂⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC=CCC=CCCC(CNC(=O)CCC[N+](C)(C)C)O

1 reference

CHEMBL1198989 (English)

21 September 2016

isomeric SMILES

CC/C=C\C/C=C\CC[C@H](CNC(=O)CCC[N+](C)(C)C)O

1 reference

CHEMBL1198989 (English)

InChI=1S/C18H34N2O2/c1-5-6-7-8-9-10-11-13-17(21)16-19-18(22)14-12-15-20(2,3)4/h6-7,9-10,17,21H,5,8,11-16H2,1-4H3/p+1/b7-6-,10-9-/t17-/m1/s1

21 September 2016

Identifiers

InChI

1 reference

CHEMBL1198989 (English)

21 September 2016

1 reference

CHEMBL1198989 (English)

imported from Wikimedia project

21 September 2016

CAS Registry Number

1042688-43-6

2 references

German Wikipedia

https://commonchemistry.cas.org/detail?cas_rn=1042688-43-6

8 April 2021

1 reference

(R)-(−)-Complanine (English)

21 September 2016

2 references

CHEMBL1198989 (English)

matched by identifier from

21 September 2016

1 reference

matched by identifier from

CHEMBL1198989 (English)

21 September 2016

1 reference

0 references

1 reference

DSSTOX compound identifier

DTXCID30696177

0 references

UNII

BXC744Y6CF

1 reference

matched by identifier from