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

Systemtic Name: methyl 2-[4-(4-chlorophenyl)-5-piperidin-1-ium-1-ylidene-1,2-thiazol-2-yl]ethanoate Openeye Name: methyl 2-[4-(4-chlorophenyl)-5-piperidin-1-ium-1-ylidene-isothiazol-2-yl]acetate CAS Name: 2-[4-(4-chlorophenyl)-5-(1-piperidin-1-iumylidene)-2-isothiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenyl)-5-piperidin-1-ium-1-ylidene-1,2-thiazol-2-yl]acetate Traditional Name: 2-[4-(4-chlorophenyl)-5-piperidin-1-ium-1-ylidene-3-isothiazolin-2-yl]acetic acid methyl ester Formula: C17H20ClN2O2S+ MolecularWeight: 351.8709

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=C(C(=[N+]2CCCCC2)S1)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CN1C=C(C(=[N+]2CCCCC2)S1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN2O2S/c1-22-16(21)12-20-11-15(13-5-7-14(18)8-6-13)17(23-20)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10,12H2,1H3/q+1