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2-[(8-methoxy-2-oxidanylidene-chromen-3-yl)carbothioylamino]ethyl-trimethyl-azanium iodide

2-[(8-methoxy-2-oxidanylidene-chromen-3-yl)carbothioylamino]ethyl-trimethyl-azanium iodide

Systemtic Name:2-[(8-methoxy-2-oxidanylidene-chromen-3-yl)carbothioylamino]ethyl-trimethyl-azanium iodide
Openeye Name:2-[(8-methoxy-2-oxo-chromene-3-carbothioyl)amino]ethyl-trimethyl-ammonium iodide
CAS Name:2-[[(8-methoxy-2-oxo-1-benzopyran-3-yl)-sulfanylidenemethyl]amino]ethyl-trimethylammonium iodide
IUPAC Name:2-[(8-methoxy-2-oxochromene-3-carbothioyl)amino]ethyl-trimethylazanium iodide
Traditional Name:2-[(2-keto-8-methoxy-chromene-3-carbothioyl)amino]ethyl-trimethyl-ammonium iodide
Formula: C16H21IN2O3S
MolecularWeight: 448.31901
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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCNC(=S)C1=CC2=C(C(=CC=C2)OC)OC1=O.[I-]


Isomeric SMILES

C[N+](C)(C)CCNC(=S)C1=CC2=C(C(=CC=C2)OC)OC1=O.[I-]


InChI

InChI=1S/C16H20N2O3S.HI/c1-18(2,3)9-8-17-15(22)12-10-11-6-5-7-13(20-4)14(11)21-16(12)19;/h5-7,10H,8-9H2,1-4H3;1H


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