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

Systemtic Name: 2-methyl-N-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: 2-methyl-N-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: 2-methyl-N-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: 2-methyl-N-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: 2-methyl-N-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C13H19N4O3+ MolecularWeight: 279.31496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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