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

Systemtic Name: 4-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzamide Openeye Name: 4-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzamide CAS Name: 4-methyl-N-[(1-methyl-2-pyrrolyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitrobenzamide Traditional Name: 4-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzamide Formula: C21H29N4O4+ MolecularWeight: 401.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCC[NH+]2CCOCC2)CC3=CC=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCC[NH+]2CCOCC2)CC3=CC=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O4/c1-17-6-7-18(15-20(17)25(27)28)21(26)24(16-19-5-3-8-22(19)2)10-4-9-23-11-13-29-14-12-23/h3,5-8,15H,4,9-14,16H2,1-2H3/p+1