(4-nitrophenyl)-[4-(4-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-nitrophenyl)-[4-(4-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-nitrophenyl)-[4-(4-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-nitrophenyl)-[4-(4-phenylcyclohexyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-nitrophenyl)-[4-(4-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-nitrophenyl)-[4-(4-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O3/c27-23(20-8-12-22(13-9-20)26(28)29)25-16-14-24(15-17-25)21-10-6-19(7-11-21)18-4-2-1-3-5-18/h1-5,8-9,12-13,19,21H,6-7,10-11,14-17H2/p+1