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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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