(1-propan-2-ylpiperidin-3-yl)methyl 4-nitrobenzoate hydrochloride

Systemtic Name: (1-propan-2-ylpiperidin-3-yl)methyl 4-nitrobenzoate hydrochloride Openeye Name: (1-isopropyl-3-piperidyl)methyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid (1-propan-2-yl-3-piperidinyl)methyl ester hydrochloride IUPAC Name: (1-propan-2-ylpiperidin-3-yl)methyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid (1-isopropyl-3-piperidyl)methyl ester hydrochloride Formula: C16H23ClN2O4 MolecularWeight: 342.81782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCCC(C1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

CC(C)N1CCCC(C1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H22N2O4.ClH/c1-12(2)17-9-3-4-13(10-17)11-22-16(19)14-5-7-15(8-6-14)18(20)21;/h5-8,12-13H,3-4,9-11H2,1-2H3;1H