[1-(phenylmethyl)piperidin-4-yl] 3-bromanylbenzoate hydrochloride

Systemtic Name: [1-(phenylmethyl)piperidin-4-yl] 3-bromanylbenzoate hydrochloride Openeye Name: (1-benzyl-4-piperidyl) 3-bromobenzoate hydrochloride CAS Name: 3-bromobenzoic acid [1-(phenylmethyl)-4-piperidinyl] ester hydrochloride IUPAC Name: (1-benzylpiperidin-4-yl) 3-bromobenzoate hydrochloride Traditional Name: 3-bromobenzoic acid (1-benzyl-4-piperidyl) ester hydrochloride Formula: C19H21BrClNO2 MolecularWeight: 410.73254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(=O)C2=CC(=CC=C2)Br)CC3=CC=CC=C3.Cl

Isomeric SMILES

C1CN(CCC1OC(=O)C2=CC(=CC=C2)Br)CC3=CC=CC=C3.Cl

InChI

InChI=1S/C19H20BrNO2.ClH/c20-17-8-4-7-16(13-17)19(22)23-18-9-11-21(12-10-18)14-15-5-2-1-3-6-15;/h1-8,13,18H,9-12,14H2;1H