1-hexyl-2-methyl-5-oxidanyl-N-(1-phenethylpiperidin-4-yl)indole-3-carboxamide hydrate hydrochloride

Systemtic Name: 1-hexyl-2-methyl-5-oxidanyl-N-(1-phenethylpiperidin-4-yl)indole-3-carboxamide hydrate hydrochloride Openeye Name: 1-hexyl-5-hydroxy-2-methyl-N-(1-phenethyl-4-piperidyl)indole-3-carboxamide hydrate hydrochloride CAS Name: 1-hexyl-5-hydroxy-2-methyl-N-(1-phenethyl-4-piperidinyl)-3-indolecarboxamide hydrate hydrochloride IUPAC Name: 1-hexyl-5-hydroxy-2-methyl-N-(1-phenethylpiperidin-4-yl)indole-3-carboxamide hydrate hydrochloride Traditional Name: 1-hexyl-5-hydroxy-2-methyl-N-(1-phenethyl-4-piperidyl)indole-3-carboxamide hydrate hydrochloride Formula: C29H42ClN3O3 MolecularWeight: 516.11508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C2=C1C=CC(=C2)O)C(=O)NC3CCN(CC3)CCC4=CC=CC=C4)C.O.Cl

Isomeric SMILES

CCCCCCN1C(=C(C2=C1C=CC(=C2)O)C(=O)NC3CCN(CC3)CCC4=CC=CC=C4)C.O.Cl

InChI

InChI=1S/C29H39N3O2.ClH.H2O/c1-3-4-5-9-17-32-22(2)28(26-21-25(33)12-13-27(26)32)29(34)30-24-15-19-31(20-16-24)18-14-23-10-7-6-8-11-23;;/h6-8,10-13,21,24,33H,3-5,9,14-20H2,1-2H3,(H,30,34);1H;1H2