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

Systemtic Name: ethyl 4-[[2-[ethanoyl(phenyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[2-(N-acetylanilino)thiazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[2-(N-acetylanilino)-4-thiazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[2-(N-acetylanilino)thiazol-4-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3S/c1-3-26-19(25)22-11-9-21(10-12-22)13-16-14-27-18(20-16)23(15(2)24)17-7-5-4-6-8-17/h4-8,14H,3,9-13H2,1-2H3/p+1