ethyl 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C18H23ClN3O2S+ MolecularWeight: 380.91212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C18H22ClN3O2S/c1-3-24-18(23)17-13(2)20-16(25-17)12-21-7-9-22(10-8-21)15-6-4-5-14(19)11-15/h4-6,11H,3,7-10,12H2,1-2H3/p+1