[1-(phenylmethyl)piperidin-4-yl] 5-nitropyridine-2-carboxylate hydrochloride

Systemtic Name: [1-(phenylmethyl)piperidin-4-yl] 5-nitropyridine-2-carboxylate hydrochloride Openeye Name: (1-benzyl-4-piperidyl) 5-nitropyridine-2-carboxylate hydrochloride CAS Name: 5-nitro-2-pyridinecarboxylic acid [1-(phenylmethyl)-4-piperidinyl] ester hydrochloride IUPAC Name: (1-benzylpiperidin-4-yl) 5-nitropyridine-2-carboxylate hydrochloride Traditional Name: 5-nitropicolinic acid (1-benzyl-4-piperidyl) ester hydrochloride Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4.ClH/c22-18(17-7-6-15(12-19-17)21(23)24)25-16-8-10-20(11-9-16)13-14-4-2-1-3-5-14;/h1-7,12,16H,8-11,13H2;1H