ethyl 4-phenyl-2-piperazin-4-ium-1-yl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-phenyl-2-piperazin-4-ium-1-yl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-phenyl-2-piperazin-4-ium-1-yl-thiazole-5-carboxylate CAS Name: 4-phenyl-2-(1-piperazin-4-iumyl)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-piperazin-4-ium-1-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-phenyl-2-piperazin-4-ium-1-yl-thiazole-5-carboxylic acid ethyl ester Formula: C16H20N3O2S+ MolecularWeight: 318.4139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2S/c1-2-21-15(20)14-13(12-6-4-3-5-7-12)18-16(22-14)19-10-8-17-9-11-19/h3-7,17H,2,8-11H2,1H3/p+1