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

Systemtic Name: ethyl 4-[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[2-(4-methylanilino)thiazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[2-(4-methylanilino)-4-thiazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[2-(p-toluidino)thiazol-4-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CSC(=N2)NC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CSC(=N2)NC3=CC=C(C=C3)C

InChI

InChI=1S/C18H24N4O2S/c1-3-24-18(23)22-10-8-21(9-11-22)12-16-13-25-17(20-16)19-15-6-4-14(2)5-7-15/h4-7,13H,3,8-12H2,1-2H3,(H,19,20)/p+1