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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide CAS Name: N-(3-chloro-4-methylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-5-nitrobenzamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitrobenzamide Traditional Name: N-(3-chloro-4-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=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CC[NH+](CC3)C)Cl

Isomeric SMILES

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

InChI

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