7-nitro-2-[(4-oxidanyl-4-phenyl-piperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one hydrochloride

Systemtic Name: 7-nitro-2-[(4-oxidanyl-4-phenyl-piperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one hydrochloride Openeye Name: 2-[(4-hydroxy-4-phenyl-1-piperidyl)methyl]-7-nitro-tetralin-1-one hydrochloride CAS Name: 2-[(4-hydroxy-4-phenyl-1-piperidinyl)methyl]-7-nitro-3,4-dihydro-2H-naphthalen-1-one hydrochloride IUPAC Name: 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-7-nitro-3,4-dihydro-2H-naphthalen-1-one hydrochloride Traditional Name: 2-[(4-hydroxy-4-phenyl-piperidino)methyl]-7-nitro-tetralin-1-one hydrochloride Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1CN3CCC(CC3)(C4=CC=CC=C4)O.Cl

Isomeric SMILES

C1CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1CN3CCC(CC3)(C4=CC=CC=C4)O.Cl

InChI

InChI=1S/C22H24N2O4.ClH/c25-21-17(7-6-16-8-9-19(24(27)28)14-20(16)21)15-23-12-10-22(26,11-13-23)18-4-2-1-3-5-18;/h1-5,8-9,14,17,26H,6-7,10-13,15H2;1H