N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[4-(p-tolyl)thiazol-2-yl]benzamide CAS Name: N-[4-(4-methylphenyl)-2-thiazolyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[4-(p-tolyl)thiazol-2-yl]benzamide Formula: C22H24N5O3S+ MolecularWeight: 438.52266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CC[NH+](CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CC[NH+](CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3S/c1-15-3-5-16(6-4-15)18-14-31-22(23-18)24-21(28)17-7-8-19(20(13-17)27(29)30)26-11-9-25(2)10-12-26/h3-8,13-14H,9-12H2,1-2H3,(H,23,24,28)/p+1