2-[(4-nitrophenyl)carbonylamino]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 2-[(4-nitrophenyl)carbonylamino]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Openeye Name: 2-[(4-nitrobenzoyl)amino]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide CAS Name: 2-[[(4-nitrophenyl)-oxomethyl]amino]-N-[3-(1-piperidin-1-iumyl)propyl]benzamide IUPAC Name: 2-[(4-nitrobenzoyl)amino]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Traditional Name: 2-[(4-nitrobenzoyl)amino]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c27-21(17-9-11-18(12-10-17)26(29)30)24-20-8-3-2-7-19(20)22(28)23-13-6-16-25-14-4-1-5-15-25/h2-3,7-12H,1,4-6,13-16H2,(H,23,28)(H,24,27)/p+1