1-[3-nitro-4,5-bis(oxidanyl)phenyl]-3-phenyl-3-piperidin-1-yl-propan-1-one hydrochloride

Systemtic Name: 1-[3-nitro-4,5-bis(oxidanyl)phenyl]-3-phenyl-3-piperidin-1-yl-propan-1-one hydrochloride Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-phenyl-3-(1-piperidyl)propan-1-one hydrochloride CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-phenyl-3-(1-piperidinyl)-1-propanone hydrochloride IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-phenyl-3-piperidin-1-ylpropan-1-one hydrochloride Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-phenyl-3-piperidino-propan-1-one hydrochloride Formula: C20H23ClN2O5 MolecularWeight: 406.86002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C3=CC=CC=C3.Cl

Isomeric SMILES

C1CCN(CC1)C(CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C3=CC=CC=C3.Cl

InChI

InChI=1S/C20H22N2O5.ClH/c23-18(15-11-17(22(26)27)20(25)19(24)12-15)13-16(14-7-3-1-4-8-14)21-9-5-2-6-10-21;/h1,3-4,7-8,11-12,16,24-25H,2,5-6,9-10,13H2;1H