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

Systemtic Name: ethyl 4-[[2-[(2,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[2-(N-acetyl-2,4-dimethylanilino)-4-thiazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3S/c1-5-28-21(27)24-10-8-23(9-11-24)13-18-14-29-20(22-18)25(17(4)26)19-7-6-15(2)12-16(19)3/h6-7,12,14H,5,8-11,13H2,1-4H3/p+1