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

Systemtic Name: 3-methyl-N-(4-methylpiperazin-4-ium-1-yl)-4-nitro-benzamide Openeye Name: 3-methyl-N-(4-methylpiperazin-4-ium-1-yl)-4-nitro-benzamide CAS Name: 3-methyl-N-(4-methyl-1-piperazin-4-iumyl)-4-nitrobenzamide IUPAC Name: 3-methyl-N-(4-methylpiperazin-4-ium-1-yl)-4-nitrobenzamide Traditional Name: 3-methyl-N-(4-methylpiperazin-4-ium-1-yl)-4-nitro-benzamide Formula: C13H19N4O3+ MolecularWeight: 279.31496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NN2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NN2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O3/c1-10-9-11(3-4-12(10)17(19)20)13(18)14-16-7-5-15(2)6-8-16/h3-4,9H,5-8H2,1-2H3,(H,14,18)/p+1