methyl 2-(5-morpholin-4-ium-4-ylidene-4-phenyl-1,2-thiazol-2-yl)ethanoate

Systemtic Name: methyl 2-(5-morpholin-4-ium-4-ylidene-4-phenyl-1,2-thiazol-2-yl)ethanoate Openeye Name: methyl 2-(5-morpholin-4-ium-4-ylidene-4-phenyl-isothiazol-2-yl)acetate CAS Name: 2-[5-(4-morpholin-4-iumylidene)-4-phenyl-2-isothiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-(5-morpholin-4-ium-4-ylidene-4-phenyl-1,2-thiazol-2-yl)acetate Traditional Name: 2-(5-morpholin-4-ium-4-ylidene-4-phenyl-3-isothiazolin-2-yl)acetic acid methyl ester Formula: C16H19N2O3S+ MolecularWeight: 319.39866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=C(C(=[N+]2CCOCC2)S1)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C=C(C(=[N+]2CCOCC2)S1)C3=CC=CC=C3

InChI

InChI=1S/C16H19N2O3S/c1-20-15(19)12-18-11-14(13-5-3-2-4-6-13)16(22-18)17-7-9-21-10-8-17/h2-6,11H,7-10,12H2,1H3/q+1