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

Systemtic Name: 2-[(5,7-dimethoxy-2-oxidanylidene-chromen-3-yl)carbothioylamino]ethyl-diethyl-methyl-azanium iodide Openeye Name: 2-[(5,7-dimethoxy-2-oxo-chromene-3-carbothioyl)amino]ethyl-diethyl-methyl-ammonium iodide CAS Name: 2-[[(5,7-dimethoxy-2-oxo-1-benzopyran-3-yl)-sulfanylidenemethyl]amino]ethyl-diethyl-methylammonium iodide IUPAC Name: 2-[(5,7-dimethoxy-2-oxochromene-3-carbothioyl)amino]ethyl-diethyl-methylazanium iodide Traditional Name: diethyl-[2-[(2-keto-5,7-dimethoxy-chromene-3-carbothioyl)amino]ethyl]-methyl-ammonium iodide Formula: C19H27IN2O4S MolecularWeight: 506.39815

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4S.HI/c1-6-21(3,7-2)9-8-20-18(26)15-12-14-16(24-5)10-13(23-4)11-17(14)25-19(15)22;/h10-12H,6-9H2,1-5H3;1H