N-(2-methyl-5-nitro-phenyl)-2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-[4-[4-(p-tolyl)thiazol-2-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-[4-[4-(4-methylphenyl)-2-thiazolyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-2-[4-[4-(p-tolyl)thiazol-2-yl]piperazin-1-ium-1-yl]acetamide Formula: C23H26N5O3S+ MolecularWeight: 452.54924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)N3CC[NH+](CC3)CC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)N3CC[NH+](CC3)CC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H25N5O3S/c1-16-3-6-18(7-4-16)21-15-32-23(25-21)27-11-9-26(10-12-27)14-22(29)24-20-13-19(28(30)31)8-5-17(20)2/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,29)/p+1