4-(4-methylpiperazin-4-ium-1-yl)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-3-nitro-benzamide

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-N-[5-methyl-4-(4-propylphenyl)thiazol-2-yl]-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-N-[5-methyl-4-(4-propylphenyl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-N-[5-methyl-4-(4-propylphenyl)thiazol-2-yl]-3-nitro-benzamide Formula: C25H30N5O3S+ MolecularWeight: 480.6024

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CC[NH+](CC4)C)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CC[NH+](CC4)C)[N+](=O)[O-])C

InChI

InChI=1S/C25H29N5O3S/c1-4-5-18-6-8-19(9-7-18)23-17(2)34-25(26-23)27-24(31)20-10-11-21(22(16-20)30(32)33)29-14-12-28(3)13-15-29/h6-11,16H,4-5,12-15H2,1-3H3,(H,26,27,31)/p+1