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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-[(3-nitrophenyl)carbonylamino]benzamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-[(3-nitrobenzoyl)amino]benzamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-2-[[(3-nitrophenyl)-oxomethyl]amino]benzamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-[(3-nitrobenzoyl)amino]benzamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-[(3-nitrobenzoyl)amino]benzamide Formula: C21H25N4O5+ MolecularWeight: 413.447

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5/c26-20(16-5-3-6-17(15-16)25(28)29)23-19-8-2-1-7-18(19)21(27)22-9-4-10-24-11-13-30-14-12-24/h1-3,5-8,15H,4,9-14H2,(H,22,27)(H,23,26)/p+1