3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-[2-(phenylcarbonyl)phenyl]propanamide

Systemtic Name: 3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-[2-(phenylcarbonyl)phenyl]propanamide Openeye Name: N-(2-benzoylphenyl)-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(2-benzoylphenyl)-3-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(2-benzoylphenyl)-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(2-benzoylphenyl)-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propionamide Formula: C26H27N4O4+ MolecularWeight: 459.51698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-]

InChI

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