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

Systemtic Name: ethyl 4-(2-cyclopentylethyl)-2-piperazin-4-ium-1-yl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-(2-cyclopentylethyl)-2-piperazin-4-ium-1-yl-thiazole-5-carboxylate CAS Name: 4-(2-cyclopentylethyl)-2-(1-piperazin-4-iumyl)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-cyclopentylethyl)-2-piperazin-4-ium-1-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-(2-cyclopentylethyl)-2-piperazin-4-ium-1-yl-thiazole-5-carboxylic acid ethyl ester Formula: C17H28N3O2S+ MolecularWeight: 338.48812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N2CC[NH2+]CC2)CCC3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N2CC[NH2+]CC2)CCC3CCCC3

InChI

InChI=1S/C17H27N3O2S/c1-2-22-16(21)15-14(8-7-13-5-3-4-6-13)19-17(23-15)20-11-9-18-10-12-20/h13,18H,2-12H2,1H3/p+1