[2-(piperidin-1-ylmethyl)phenyl]methyl 3-bromanylbenzoate hydrochloride

Systemtic Name: [2-(piperidin-1-ylmethyl)phenyl]methyl 3-bromanylbenzoate hydrochloride Openeye Name: [2-(1-piperidylmethyl)phenyl]methyl 3-bromobenzoate hydrochloride CAS Name: 3-bromobenzoic acid [2-(1-piperidinylmethyl)phenyl]methyl ester hydrochloride IUPAC Name: [2-(piperidin-1-ylmethyl)phenyl]methyl 3-bromobenzoate hydrochloride Traditional Name: 3-bromobenzoic acid [2-(piperidinomethyl)benzyl] ester hydrochloride Formula: C20H23BrClNO2 MolecularWeight: 424.75912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=CC=C2COC(=O)C3=CC(=CC=C3)Br.Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC=CC=C2COC(=O)C3=CC(=CC=C3)Br.Cl

InChI

InChI=1S/C20H22BrNO2.ClH/c21-19-10-6-9-16(13-19)20(23)24-15-18-8-3-2-7-17(18)14-22-11-4-1-5-12-22;/h2-3,6-10,13H,1,4-5,11-12,14-15H2;1H