1-(3-nitrophenyl)-3-[4-(phenylmethyl)piperidin-1-yl]propan-1-one hydrochloride

Systemtic Name: 1-(3-nitrophenyl)-3-[4-(phenylmethyl)piperidin-1-yl]propan-1-one hydrochloride Openeye Name: 3-(4-benzyl-1-piperidyl)-1-(3-nitrophenyl)propan-1-one hydrochloride CAS Name: 1-(3-nitrophenyl)-3-[4-(phenylmethyl)-1-piperidinyl]-1-propanone hydrochloride IUPAC Name: 3-(4-benzylpiperidin-1-yl)-1-(3-nitrophenyl)propan-1-one hydrochloride Traditional Name: 3-(4-benzylpiperidino)-1-(3-nitrophenyl)propan-1-one hydrochloride Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCC(=O)C3=CC(=CC=C3)[N+](=O)[O-].Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCC(=O)C3=CC(=CC=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C21H24N2O3.ClH/c24-21(19-7-4-8-20(16-19)23(25)26)11-14-22-12-9-18(10-13-22)15-17-5-2-1-3-6-17;/h1-8,16,18H,9-15H2;1H