N-cyclohexyl-2-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: N-cyclohexyl-2-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: N-cyclohexyl-2-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: N-cyclohexyl-2-[4-(5-nitro-2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: N-cyclohexyl-2-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: N-cyclohexyl-2-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C23H31N5O3+2 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O3/c29-23(27(19-7-3-1-4-8-19)20-9-5-2-6-10-20)18-25-13-15-26(16-14-25)22-12-11-21(17-24-22)28(30)31/h1,3-4,7-8,11-12,17,20H,2,5-6,9-10,13-16,18H2/p+2