[1-[(3-nitrophenyl)methyl]piperidin-4-yl] benzoate hydrochloride

Systemtic Name: [1-[(3-nitrophenyl)methyl]piperidin-4-yl] benzoate hydrochloride Openeye Name: [1-[(3-nitrophenyl)methyl]-4-piperidyl] benzoate hydrochloride CAS Name: benzoic acid [1-[(3-nitrophenyl)methyl]-4-piperidinyl] ester hydrochloride IUPAC Name: [1-[(3-nitrophenyl)methyl]piperidin-4-yl] benzoate hydrochloride Traditional Name: benzoic acid [1-(3-nitrobenzyl)-4-piperidyl] ester hydrochloride Formula: C19H21ClN2O4 MolecularWeight: 376.83404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(=O)C2=CC=CC=C2)CC3=CC(=CC=C3)[N+](=O)[O-].Cl

Isomeric SMILES

C1CN(CCC1OC(=O)C2=CC=CC=C2)CC3=CC(=CC=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C19H20N2O4.ClH/c22-19(16-6-2-1-3-7-16)25-18-9-11-20(12-10-18)14-15-5-4-8-17(13-15)21(23)24;/h1-8,13,18H,9-12,14H2;1H