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

Systemtic Name: 3-methyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-nitro-benzamide Openeye Name: 3-methyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-nitro-benzamide CAS Name: 3-methyl-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-nitrobenzamide IUPAC Name: 3-methyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-nitrobenzamide Traditional Name: 3-methyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-nitro-benzamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=C(C=C(C=C2)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=C(C=C(C=C2)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C20H24N4O3/c1-14-5-4-6-17(19(14)24(26)27)20(25)21-18-8-7-16(13-15(18)2)23-11-9-22(3)10-12-23/h4-8,13H,9-12H2,1-3H3,(H,21,25)/p+1