(4-nitrophenyl)-[4-(4-nitrophenyl)-4-oxidanyl-1-phenethyl-piperidin-3-yl]methanone hydrochloride

Systemtic Name: (4-nitrophenyl)-[4-(4-nitrophenyl)-4-oxidanyl-1-phenethyl-piperidin-3-yl]methanone hydrochloride Openeye Name: [4-hydroxy-4-(4-nitrophenyl)-1-phenethyl-3-piperidyl]-(4-nitrophenyl)methanone hydrochloride CAS Name: [4-hydroxy-4-(4-nitrophenyl)-1-phenethyl-3-piperidinyl]-(4-nitrophenyl)methanone hydrochloride IUPAC Name: [4-hydroxy-4-(4-nitrophenyl)-1-phenethylpiperidin-3-yl]-(4-nitrophenyl)methanone hydrochloride Traditional Name: [4-hydroxy-4-(4-nitrophenyl)-1-phenethyl-3-piperidyl]-(4-nitrophenyl)methanone hydrochloride Formula: C26H26ClN3O6 MolecularWeight: 511.95414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4.Cl

Isomeric SMILES

C1CN(CC(C1(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4.Cl

InChI

InChI=1S/C26H25N3O6.ClH/c30-25(20-6-10-22(11-7-20)28(32)33)24-18-27(16-14-19-4-2-1-3-5-19)17-15-26(24,31)21-8-12-23(13-9-21)29(34)35;/h1-13,24,31H,14-18H2;1H