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

Systemtic Name: methyl 2-(5-morpholin-4-ium-4-ylidene-4-pyridin-4-yl-1,2-thiazol-2-yl)ethanoate iodide Openeye Name: methyl 2-[5-morpholin-4-ium-4-ylidene-4-(4-pyridyl)isothiazol-2-yl]acetate iodide CAS Name: 2-[5-(4-morpholin-4-iumylidene)-4-pyridin-4-yl-2-isothiazolyl]acetic acid methyl ester iodide IUPAC Name: methyl 2-(5-morpholin-4-ium-4-ylidene-4-pyridin-4-yl-1,2-thiazol-2-yl)acetate iodide Traditional Name: 2-[5-morpholin-4-ium-4-ylidene-4-(4-pyridyl)-3-isothiazolin-2-yl]acetic acid methyl ester iodide Formula: C15H18IN3O3S MolecularWeight: 447.29119

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N3O3S.HI/c1-20-14(19)11-18-10-13(12-2-4-16-5-3-12)15(22-18)17-6-8-21-9-7-17;/h2-5,10H,6-9,11H2,1H3;1H/q+1;/p-1