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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-(4-bromo-3-methylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C19H22BrN4O3+ MolecularWeight: 434.30698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN4O3/c1-13-11-15(4-5-16(13)20)21-19(25)14-3-6-17(18(12-14)24(26)27)23-9-7-22(2)8-10-23/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)/p+1