N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzamide

Systemtic Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzamide Openeye Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzamide CAS Name: N-[(1-methyl-2-pyrrolyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-3-nitrobenzamide IUPAC Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitrobenzamide Traditional Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzamide Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(CCC[NH+]2CCOCC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1CN(CCC[NH+]2CCOCC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4/c1-21-8-3-7-19(21)16-23(10-4-9-22-11-13-28-14-12-22)20(25)17-5-2-6-18(15-17)24(26)27/h2-3,5-8,15H,4,9-14,16H2,1H3/p+1