4-[4-[(4-chlorophenyl)methyl]-4-oxidanyl-piperidin-1-yl]-4-fluoranyl-2-nitro-1-phenyl-butan-1-one hydrochloride

Systemtic Name: 4-[4-[(4-chlorophenyl)methyl]-4-oxidanyl-piperidin-1-yl]-4-fluoranyl-2-nitro-1-phenyl-butan-1-one hydrochloride Openeye Name: 4-[4-[(4-chlorophenyl)methyl]-4-hydroxy-1-piperidyl]-4-fluoro-2-nitro-1-phenyl-butan-1-one hydrochloride CAS Name: 4-[4-[(4-chlorophenyl)methyl]-4-hydroxy-1-piperidinyl]-4-fluoro-2-nitro-1-phenyl-1-butanone hydrochloride IUPAC Name: 4-[4-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-4-fluoro-2-nitro-1-phenylbutan-1-one hydrochloride Traditional Name: 4-[4-(4-chlorobenzyl)-4-hydroxy-piperidino]-4-fluoro-2-nitro-1-phenyl-butan-1-one hydrochloride Formula: C22H25Cl2FN2O4 MolecularWeight: 471.349303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=C(C=C2)Cl)O)C(CC(C(=O)C3=CC=CC=C3)[N+](=O)[O-])F.Cl

Isomeric SMILES

C1CN(CCC1(CC2=CC=C(C=C2)Cl)O)C(CC(C(=O)C3=CC=CC=C3)[N+](=O)[O-])F.Cl

InChI

InChI=1S/C22H24ClFN2O4.ClH/c23-18-8-6-16(7-9-18)15-22(28)10-12-25(13-11-22)20(24)14-19(26(29)30)21(27)17-4-2-1-3-5-17;/h1-9,19-20,28H,10-15H2;1H