methyl 4-[[1-(phenylmethyl)piperidin-4-yl]methoxymethyl]benzoate hydrate hydrochloride

Systemtic Name: methyl 4-[[1-(phenylmethyl)piperidin-4-yl]methoxymethyl]benzoate hydrate hydrochloride Openeye Name: methyl 4-[(1-benzyl-4-piperidyl)methoxymethyl]benzoate hydrate hydrochloride CAS Name: 4-[[1-(phenylmethyl)-4-piperidinyl]methoxymethyl]benzoic acid methyl ester hydrate hydrochloride IUPAC Name: methyl 4-[(1-benzylpiperidin-4-yl)methoxymethyl]benzoate hydrate hydrochloride Traditional Name: 4-[(1-benzyl-4-piperidyl)methoxymethyl]benzoic acid methyl ester hydrate hydrochloride Formula: C22H30ClNO4 MolecularWeight: 407.9309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COCC2CCN(CC2)CC3=CC=CC=C3.O.Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COCC2CCN(CC2)CC3=CC=CC=C3.O.Cl

InChI

InChI=1S/C22H27NO3.ClH.H2O/c1-25-22(24)21-9-7-19(8-10-21)16-26-17-20-11-13-23(14-12-20)15-18-5-3-2-4-6-18;;/h2-10,20H,11-17H2,1H3;1H;1H2