ethyl 2-(2,3-dimethylphenyl)imino-4-methyl-3-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-(2,3-dimethylphenyl)imino-4-methyl-3-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-(2,3-dimethylphenyl)imino-4-methyl-3-(4-methylpiperazin-4-ium-1-yl)thiazole-5-carboxylate CAS Name: 2-(2,3-dimethylphenyl)imino-4-methyl-3-(4-methyl-1-piperazin-4-iumyl)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,3-dimethylphenyl)imino-4-methyl-3-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole-5-carboxylate Traditional Name: 2-(2,3-dimethylphenyl)imino-4-methyl-3-(4-methylpiperazin-4-ium-1-yl)-4-thiazoline-5-carboxylic acid ethyl ester Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC2=CC=CC(=C2C)C)S1)N3CC[NH+](CC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=NC2=CC=CC(=C2C)C)S1)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C20H28N4O2S/c1-6-26-19(25)18-16(4)24(23-12-10-22(5)11-13-23)20(27-18)21-17-9-7-8-14(2)15(17)3/h7-9H,6,10-13H2,1-5H3/p+1