[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl 4-nitrobenzoate hydrochloride

Systemtic Name: [2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl 4-nitrobenzoate hydrochloride Openeye Name: [2-[(2-methyl-1-piperidyl)methyl]phenyl]methyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid [2-[(2-methyl-1-piperidinyl)methyl]phenyl]methyl ester hydrochloride IUPAC Name: [2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid [2-[(2-methylpiperidino)methyl]benzyl] ester hydrochloride Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=CC=CC=C2COC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

CC1CCCCN1CC2=CC=CC=C2COC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C21H24N2O4.ClH/c1-16-6-4-5-13-22(16)14-18-7-2-3-8-19(18)15-27-21(24)17-9-11-20(12-10-17)23(25)26;/h2-3,7-12,16H,4-6,13-15H2,1H3;1H