1-[4-[[(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)-methylsulfanyl-methyl]amino]phenyl]ethanone iodide

Systemtic Name: 1-[4-[[(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)-methylsulfanyl-methyl]amino]phenyl]ethanone iodide Openeye Name: 1-[4-[[(2-methylindolin-1-ium-1-ylidene)-methylsulfanyl-methyl]amino]phenyl]ethanone iodide CAS Name: 1-[4-[[(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)-(methylthio)methyl]amino]phenyl]ethanone iodide IUPAC Name: 1-[4-[[(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)-methylsulfanylmethyl]amino]phenyl]ethanone iodide Traditional Name: 1-[4-[[(2-methylindolin-1-ium-1-ylidene)-(methylthio)methyl]amino]phenyl]ethanone iodide Formula: C19H21IN2OS MolecularWeight: 452.35231

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2[N+]1=C(NC3=CC=C(C=C3)C(=O)C)SC.[I-]

Isomeric SMILES

CC1CC2=CC=CC=C2[N+]1=C(NC3=CC=C(C=C3)C(=O)C)SC.[I-]

InChI

InChI=1S/C19H20N2OS.HI/c1-13-12-16-6-4-5-7-18(16)21(13)19(23-3)20-17-10-8-15(9-11-17)14(2)22;/h4-11,13H,12H2,1-3H3;1H