2-[(5,7-dimethoxy-2-oxidanylidene-chromen-3-yl)carbothioylamino]ethyl-trimethyl-azanium iodide

Systemtic Name: 2-[(5,7-dimethoxy-2-oxidanylidene-chromen-3-yl)carbothioylamino]ethyl-trimethyl-azanium iodide Openeye Name: 2-[(5,7-dimethoxy-2-oxo-chromene-3-carbothioyl)amino]ethyl-trimethyl-ammonium iodide CAS Name: 2-[[(5,7-dimethoxy-2-oxo-1-benzopyran-3-yl)-sulfanylidenemethyl]amino]ethyl-trimethylammonium iodide IUPAC Name: 2-[(5,7-dimethoxy-2-oxochromene-3-carbothioyl)amino]ethyl-trimethylazanium iodide Traditional Name: 2-[(2-keto-5,7-dimethoxy-chromene-3-carbothioyl)amino]ethyl-trimethyl-ammonium iodide Formula: C17H23IN2O4S MolecularWeight: 478.34499

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCNC(=S)C1=CC2=C(C=C(C=C2OC1=O)OC)OC.[I-]

Isomeric SMILES

C[N+](C)(C)CCNC(=S)C1=CC2=C(C=C(C=C2OC1=O)OC)OC.[I-]

InChI

InChI=1S/C17H22N2O4S.HI/c1-19(2,3)7-6-18-16(24)13-10-12-14(22-5)8-11(21-4)9-15(12)23-17(13)20;/h8-10H,6-7H2,1-5H3;1H