10-[3-(2,3,6-trimethylphenoxy)propyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochloride

Systemtic Name: 10-[3-(2,3,6-trimethylphenoxy)propyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochloride Openeye Name: 10-[3-(2,3,6-trimethylphenoxy)propyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochloride CAS Name: 10-[3-(2,3,6-trimethylphenoxy)propyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochloride IUPAC Name: 10-[3-(2,3,6-trimethylphenoxy)propyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochloride Traditional Name: 10-[3-(2,3,6-trimethylphenoxy)propyl]-1,2,3,4,5,6-hexahydroazepin[4,5-b]indole hydrochloride Formula: C24H31ClN2O MolecularWeight: 398.96874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCCCC2=C3C4=C(CCNCC4)NC3=CC=C2)C.Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCCCC2=C3C4=C(CCNCC4)NC3=CC=C2)C.Cl

InChI

InChI=1S/C24H30N2O.ClH/c1-16-9-10-17(2)24(18(16)3)27-15-5-7-19-6-4-8-22-23(19)20-11-13-25-14-12-21(20)26-22;/h4,6,8-10,25-26H,5,7,11-15H2,1-3H3;1H