2-[4-[[2-nitro-4-(phenylcarbonyl)phenyl]amino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[[2-nitro-4-(phenylcarbonyl)phenyl]amino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(4-benzoyl-2-nitro-anilino)piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-(4-benzoyl-2-nitroanilino)-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-(4-benzoyl-2-nitroanilino)piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(4-benzoyl-2-nitro-anilino)piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C26H27N4O4+ MolecularWeight: 459.51698

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O4/c31-25(28-21-9-5-2-6-10-21)18-29-15-13-22(14-16-29)27-23-12-11-20(17-24(23)30(33)34)26(32)19-7-3-1-4-8-19/h1-12,17,22,27H,13-16,18H2,(H,28,31)/p+1