4-(cyclopropylamino)-N-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C15H22N5O3+ MolecularWeight: 320.36688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O3/c1-18-6-8-19(9-7-18)17-15(21)11-2-5-13(16-12-3-4-12)14(10-11)20(22)23/h2,5,10,12,16H,3-4,6-9H2,1H3,(H,17,21)/p+1