3-(1H-indol-3-yl)propyl-(2-methoxy-1-methylsulfanyl-2-oxidanylidene-ethylidene)-methyl-azanium iodide

Systemtic Name: 3-(1H-indol-3-yl)propyl-(2-methoxy-1-methylsulfanyl-2-oxidanylidene-ethylidene)-methyl-azanium iodide Openeye Name: 3-(1H-indol-3-yl)propyl-(2-methoxy-1-methylsulfanyl-2-oxo-ethylidene)-methyl-ammonium iodide CAS Name: 3-(1H-indol-3-yl)propyl-[2-methoxy-1-(methylthio)-2-oxoethylidene]-methylammonium iodide IUPAC Name: 3-(1H-indol-3-yl)propyl-(2-methoxy-1-methylsulfanyl-2-oxoethylidene)-methylazanium iodide Traditional Name: 3-(1H-indol-3-yl)propyl-[2-keto-2-methoxy-1-(methylthio)ethylidene]-methyl-ammonium iodide Formula: C16H21IN2O2S MolecularWeight: 432.31961

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C(C(=O)OC)SC)CCCC1=CNC2=CC=CC=C21.[I-]

Isomeric SMILES

C[N+](=C(C(=O)OC)SC)CCCC1=CNC2=CC=CC=C21.[I-]

InChI

InChI=1S/C16H20N2O2S.HI/c1-18(15(21-3)16(19)20-2)10-6-7-12-11-17-14-9-5-4-8-13(12)14;/h4-5,8-9,11H,6-7,10H2,1-3H3;1H