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

Systemtic Name: ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-3-24-18(22)21-10-8-20(9-11-21)12-15-13-25-17(19-15)14-4-6-16(23-2)7-5-14/h4-7,13H,3,8-12H2,1-2H3/p+1