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

Systemtic Name: ethyl 4-(4-cyanophenyl)-2-piperazin-4-ium-1-yl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-(4-cyanophenyl)-2-piperazin-4-ium-1-yl-thiazole-5-carboxylate CAS Name: 4-(4-cyanophenyl)-2-(1-piperazin-4-iumyl)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyanophenyl)-2-piperazin-4-ium-1-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-(4-cyanophenyl)-2-piperazin-4-ium-1-yl-thiazole-5-carboxylic acid ethyl ester Formula: C17H19N4O2S+ MolecularWeight: 343.42336

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2S/c1-2-23-16(22)15-14(13-5-3-12(11-18)4-6-13)20-17(24-15)21-9-7-19-8-10-21/h3-6,19H,2,7-10H2,1H3/p+1