1-(4-nitrophenyl)-2-[[4-(phenylmethyl)piperidin-1-yl]methyl]prop-2-en-1-one hydrochloride

Systemtic Name: 1-(4-nitrophenyl)-2-[[4-(phenylmethyl)piperidin-1-yl]methyl]prop-2-en-1-one hydrochloride Openeye Name: 2-[(4-benzyl-1-piperidyl)methyl]-1-(4-nitrophenyl)prop-2-en-1-one hydrochloride CAS Name: 1-(4-nitrophenyl)-2-[[4-(phenylmethyl)-1-piperidinyl]methyl]-2-propen-1-one hydrochloride IUPAC Name: 2-[(4-benzylpiperidin-1-yl)methyl]-1-(4-nitrophenyl)prop-2-en-1-one hydrochloride Traditional Name: 2-[(4-benzylpiperidino)methyl]-1-(4-nitrophenyl)prop-2-en-1-one hydrochloride Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CN1CCC(CC1)CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

C=C(CN1CCC(CC1)CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C22H24N2O3.ClH/c1-17(22(25)20-7-9-21(10-8-20)24(26)27)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18;/h2-10,19H,1,11-16H2;1H