(Q27147317)

CHEBI:77725 (English)

8 October 2016

chemical formula

C₂₁H₂₇N₂O₃⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC1C2CC3C4C5(CC(C2C5OC(=O)C)[NH+]3C1O)C6=CC=CC=C6N4

1 reference

CHEBI:77725 (English)

8 October 2016

isomeric SMILES

CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H](C2[C@H]5OC(=O)C)[NH+]3[C@@H]1O)C6=CC=CC=C6N4

1 reference

CHEBI:77725 (English)

InChI=1S/C21H26N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h4-7,11-12,15-20,22,25H,3,8-9H2,1-2H3/p+1/t11-,12-,15-,16-,17?,18-,19+,20+,21+/m0/s1

8 October 2016

Identifiers

InChI

1 reference

CHEBI:77725 (English)

VAOXSMUPPRUEKF-VFHMDEBLSA-O

8 October 2016

InChIKey

2 references

CHEBI:77725 (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2beta,7beta,16xi,17R,20beta,21alpha)-21-Hydroxy-2,7,19,20-tetrahydro-7,17-cyclosarpagan-4-ium-17-yl acetate (English)

8 October 2016

2 references

CHEBI:77725 (English)

matched by identifier from

8 October 2016

InChIKey

VAOXSMUPPRUEKF-VFHMDEBLSA-O

ChEBI ID

77725

mapping relation type

2 references

17-O-acetylnorajmaline(1+) (English)