N-(3-chloranyl-2-methyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide CAS Name: N-(3-chloro-2-methylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-5-nitrobenzamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitrobenzamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide Formula: C19H22ClN4O3+ MolecularWeight: 389.85598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CC[NH+](CC3)C

InChI

InChI=1S/C19H21ClN4O3/c1-13-16(20)4-3-5-17(13)21-19(25)15-12-14(24(26)27)6-7-18(15)23-10-8-22(2)9-11-23/h3-7,12H,8-11H2,1-2H3,(H,21,25)/p+1