1-[2-[(2,3-dimethylphenyl)amino]-4-methyl-3-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-3-ium-5-yl]ethanone

Systemtic Name: 1-[2-[(2,3-dimethylphenyl)amino]-4-methyl-3-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-3-ium-5-yl]ethanone Openeye Name: 1-[2-(2,3-dimethylanilino)-4-methyl-3-(4-methylpiperazin-4-ium-1-yl)thiazol-3-ium-5-yl]ethanone CAS Name: 1-[2-(2,3-dimethylanilino)-4-methyl-3-(4-methyl-1-piperazin-4-iumyl)-5-thiazol-3-iumyl]ethanone IUPAC Name: 1-[2-(2,3-dimethylanilino)-4-methyl-3-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-3-ium-5-yl]ethanone Traditional Name: 1-[2-(2,3-dimethylanilino)-4-methyl-3-(4-methylpiperazin-4-ium-1-yl)thiazol-3-ium-5-yl]ethanone Formula: C19H28N4OS+2 MolecularWeight: 360.51682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=[N+](C(=C(S2)C(=O)C)C)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=[N+](C(=C(S2)C(=O)C)C)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C19H26N4OS/c1-13-7-6-8-17(14(13)2)20-19-23(15(3)18(25-19)16(4)24)22-11-9-21(5)10-12-22/h6-8H,9-12H2,1-5H3/p+2