methyl 4-[3-(3,5-dimethylpiperidin-1-yl)-2-oxidanyl-propoxy]benzoate hydrochloride

Systemtic Name: methyl 4-[3-(3,5-dimethylpiperidin-1-yl)-2-oxidanyl-propoxy]benzoate hydrochloride Openeye Name: methyl 4-[3-(3,5-dimethyl-1-piperidyl)-2-hydroxy-propoxy]benzoate hydrochloride CAS Name: 4-[3-(3,5-dimethyl-1-piperidinyl)-2-hydroxypropoxy]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[3-(3,5-dimethylpiperidin-1-yl)-2-hydroxypropoxy]benzoate hydrochloride Traditional Name: 4-[3-(3,5-dimethylpiperidino)-2-hydroxy-propoxy]benzoic acid methyl ester hydrochloride Formula: C18H28ClNO4 MolecularWeight: 357.87222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CC(COC2=CC=C(C=C2)C(=O)OC)O)C.Cl

Isomeric SMILES

CC1CC(CN(C1)CC(COC2=CC=C(C=C2)C(=O)OC)O)C.Cl

InChI

InChI=1S/C18H27NO4.ClH/c1-13-8-14(2)10-19(9-13)11-16(20)12-23-17-6-4-15(5-7-17)18(21)22-3;/h4-7,13-14,16,20H,8-12H2,1-3H3;1H