3-(1-methylpiperidin-3-yl)-2-(1-oxidanylcyclohexyl)-2-phenyl-propanoate hydrochloride

Systemtic Name: 3-(1-methylpiperidin-3-yl)-2-(1-oxidanylcyclohexyl)-2-phenyl-propanoate hydrochloride Openeye Name: 2-(1-hydroxycyclohexyl)-3-(1-methyl-3-piperidyl)-2-phenyl-propanoate hydrochloride CAS Name: 2-(1-hydroxycyclohexyl)-3-(1-methyl-3-piperidinyl)-2-phenylpropanoate hydrochloride IUPAC Name: 2-(1-hydroxycyclohexyl)-3-(1-methylpiperidin-3-yl)-2-phenylpropanoate hydrochloride Traditional Name: 2-(1-hydroxycyclohexyl)-3-(1-methyl-3-piperidyl)-2-phenyl-propionate hydrochloride Formula: C21H31ClNO3- MolecularWeight: 380.92874

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)CC(C2=CC=CC=C2)(C(=O)[O-])C3(CCCCC3)O.Cl

Isomeric SMILES

CN1CCCC(C1)CC(C2=CC=CC=C2)(C(=O)[O-])C3(CCCCC3)O.Cl

InChI

InChI=1S/C21H31NO3.ClH/c1-22-14-8-9-17(16-22)15-21(19(23)24,18-10-4-2-5-11-18)20(25)12-6-3-7-13-20;/h2,4-5,10-11,17,25H,3,6-9,12-16H2,1H3,(H,23,24);1H/p-1