methyl 2-[4-(4-chlorophenyl)-5-(4-methylpiperazin-1-ium-1-ylidene)-1,2-thiazol-2-yl]ethanoate

Systemtic Name: methyl 2-[4-(4-chlorophenyl)-5-(4-methylpiperazin-1-ium-1-ylidene)-1,2-thiazol-2-yl]ethanoate Openeye Name: methyl 2-[4-(4-chlorophenyl)-5-(4-methylpiperazin-1-ium-1-ylidene)isothiazol-2-yl]acetate CAS Name: 2-[4-(4-chlorophenyl)-5-(4-methyl-1-piperazin-1-iumylidene)-2-isothiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenyl)-5-(4-methylpiperazin-1-ium-1-ylidene)-1,2-thiazol-2-yl]acetate Traditional Name: 2-[4-(4-chlorophenyl)-5-(4-methylpiperazin-1-ium-1-ylidene)-3-isothiazolin-2-yl]acetic acid methyl ester Formula: C17H21ClN3O2S+ MolecularWeight: 366.88554

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](=C2C(=CN(S2)CC(=O)OC)C3=CC=C(C=C3)Cl)CC1

Isomeric SMILES

CN1CC[N+](=C2C(=CN(S2)CC(=O)OC)C3=CC=C(C=C3)Cl)CC1

InChI

InChI=1S/C17H21ClN3O2S/c1-19-7-9-20(10-8-19)17-15(13-3-5-14(18)6-4-13)11-21(24-17)12-16(22)23-2/h3-6,11H,7-10,12H2,1-2H3/q+1