lx-201 cation (Q27275311)

UNII-C867UOE0YR (English)

14 October 2016

chemical formula

C₂₁H₂₈NO₆⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC=C1CC(C(C(=O)OCC2=C3C(CC[N+]3(C=C2)C)OC1=O)(C)OC(=O)C)C

1 reference

UNII-C867UOE0YR (English)

14 October 2016

isomeric SMILES

C/C=C/1\C[C@H]([C@@](C(=O)OCC2=C3[C@@H](CC[N+]3(C=C2)C)OC1=O)(C)OC(=O)C)C

1 reference

UNII-C867UOE0YR (English)

InChI=1S/C21H28NO6/c1-6-15-11-13(2)21(4,28-14(3)23)20(25)26-12-16-7-9-22(5)10-8-17(18(16)22)27-19(15)24/h6-7,9,13,17H,8,10-12H2,1-5H3/q+1/b15-6+/t13-,17-,21-,22?/m1/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-C867UOE0YR (English)

SYWYSTAQDCUFOD-UJYLUETQSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-C867UOE0YR (English)

14 October 2016

1 reference

UNII

C867UOE0YR

lx-201 cation (English)

14 October 2016

1 reference

(15E)-4-Methyl-11,16-dioxo-3,8-didehydrosenecionan-4-ium-12-yl acetate (English)

14 October 2016

2 references

UNII-C867UOE0YR (English)

matched by identifier from

14 October 2016

InChIKey

SYWYSTAQDCUFOD-UJYLUETQSA-N

1 reference

2 references

Global Substance Registration System

UNII

C867UOE0YR

lx-201 cation (English)