N-cyclohexyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: N-cyclohexyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: N-cyclohexyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: N-cyclohexyl-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: N-cyclohexyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: N-cyclohexyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O3/c29-24(27(21-7-3-1-4-8-21)22-9-5-2-6-10-22)19-25-15-17-26(18-16-25)20-11-13-23(14-12-20)28(30)31/h1,3-4,7-8,11-14,22H,2,5-6,9-10,15-19H2/p+1