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

Systemtic Name: 4-(methylamino)-N-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: 4-(methylamino)-N-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: 4-(methylamino)-N-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: 4-(methylamino)-N-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: 4-(methylamino)-N-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C13H20N5O3+ MolecularWeight: 294.3296

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NN2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NN2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H19N5O3/c1-14-11-4-3-10(9-12(11)18(20)21)13(19)15-17-7-5-16(2)6-8-17/h3-4,9,14H,5-8H2,1-2H3,(H,15,19)/p+1