(Q27126983)

ZINC03638253 (English)

6 October 2016

chemical formula

C₁₉H₂₂NO₃⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C[NH+]1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC

1 reference

ZINC03638253 (English)

6 October 2016

isomeric SMILES

C[NH+]1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC

1 reference

ZINC03638253 (English)

InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/p+1/t13-,18+,19+/m1/s1

6 October 2016

Identifiers

InChI

1 reference

ZINC03638253 (English)

FQXXSQDCDRQNQE-VMDGZTHMSA-O

6 October 2016

InChIKey

2 references

ZINC03638253 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5alpha,17S)-3,6-Dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5-epoxymorphinan-17-ium (English)

6 October 2016

1 reference

ZINC03638253 (English)

6 October 2016

ChEBI ID

59953

mapping relation type

1 reference