[1-[(3-bromophenyl)methyl]piperidin-4-yl] 4-methylbenzoate hydrochloride

Systemtic Name: [1-[(3-bromophenyl)methyl]piperidin-4-yl] 4-methylbenzoate hydrochloride Openeye Name: [1-[(3-bromophenyl)methyl]-4-piperidyl] 4-methylbenzoate hydrochloride CAS Name: 4-methylbenzoic acid [1-[(3-bromophenyl)methyl]-4-piperidinyl] ester hydrochloride IUPAC Name: [1-[(3-bromophenyl)methyl]piperidin-4-yl] 4-methylbenzoate hydrochloride Traditional Name: 4-methylbenzoic acid [1-(3-bromobenzyl)-4-piperidyl] ester hydrochloride Formula: C20H23BrClNO2 MolecularWeight: 424.75912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2CCN(CC2)CC3=CC(=CC=C3)Br.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2CCN(CC2)CC3=CC(=CC=C3)Br.Cl

InChI

InChI=1S/C20H22BrNO2.ClH/c1-15-5-7-17(8-6-15)20(23)24-19-9-11-22(12-10-19)14-16-3-2-4-18(21)13-16;/h2-8,13,19H,9-12,14H2,1H3;1H