4-azanyl-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]-N-methyl-5-oxidanylidene-octanamide hydrate hydrochloride

Systemtic Name: 4-azanyl-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]-N-methyl-5-oxidanylidene-octanamide hydrate hydrochloride Openeye Name: 4-amino-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]-N-methyl-5-oxo-octanamide hydrate hydrochloride CAS Name: 4-amino-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-N-methyl-5-oxooctanamide hydrate hydrochloride IUPAC Name: 4-amino-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-N-methyl-5-oxooctanamide hydrate hydrochloride Traditional Name: 4-amino-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidino]-5-keto-N-methyl-caprylamide hydrate hydrochloride Formula: C28H48ClN3O4 MolecularWeight: 526.15142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CC(C1CCCCC1)C(=O)NC)(N)N2CCC(C(C2)C)(C)C3=CC(=CC=C3)O.O.Cl

Isomeric SMILES

CCCC(=O)C(CC(C1CCCCC1)C(=O)NC)(N)N2CCC(C(C2)C)(C)C3=CC(=CC=C3)O.O.Cl

InChI

InChI=1S/C28H45N3O3.ClH.H2O/c1-5-10-25(33)28(29,18-24(26(34)30-4)21-11-7-6-8-12-21)31-16-15-27(3,20(2)19-31)22-13-9-14-23(32)17-22;;/h9,13-14,17,20-21,24,32H,5-8,10-12,15-16,18-19,29H2,1-4H3,(H,30,34);1H;1H2