ethyl 4-[[2-[ethanoyl-(3-methylphenyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[2-[ethanoyl-(3-methylphenyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[2-(N-acetyl-3-methylanilino)-4-thiazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CSC(=N2)N(C3=CC=CC(=C3)C)C(=O)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CSC(=N2)N(C3=CC=CC(=C3)C)C(=O)C

InChI

InChI=1S/C20H26N4O3S/c1-4-27-20(26)23-10-8-22(9-11-23)13-17-14-28-19(21-17)24(16(3)25)18-7-5-6-15(2)12-18/h5-7,12,14H,4,8-11,13H2,1-3H3/p+1