ethyl 4-(4-methoxyphenyl)-2-piperazin-4-ium-1-yl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-2-piperazin-4-ium-1-yl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-2-piperazin-4-ium-1-yl-thiazole-5-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-(1-piperazin-4-iumyl)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-2-piperazin-4-ium-1-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-(4-methoxyphenyl)-2-piperazin-4-ium-1-yl-thiazole-5-carboxylic acid ethyl ester Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N2CC[NH2+]CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N2CC[NH2+]CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H21N3O3S/c1-3-23-16(21)15-14(12-4-6-13(22-2)7-5-12)19-17(24-15)20-10-8-18-9-11-20/h4-7,18H,3,8-11H2,1-2H3/p+1