benzene; 2-(1-methylpyridin-1-ium-4-yl)ethyl-diphenyl-sulfanylidene-$l^{5}-phosphane; iodide

Systemtic Name: benzene; 2-(1-methylpyridin-1-ium-4-yl)ethyl-diphenyl-sulfanylidene-$l^{5}-phosphane; iodide Openeye Name: benzene; 2-(1-methylpyridin-1-ium-4-yl)ethyl-diphenyl-thioxo-$l^{5}-phosphane; iodide CAS Name: benzene; 2-(1-methyl-4-pyridin-1-iumyl)ethyl-diphenyl-sulfanylidenephosphorane; iodide IUPAC Name: benzene; 2-(1-methylpyridin-1-ium-4-yl)ethyl-diphenyl-sulfanylidene-$l^{5}-phosphane; iodide Traditional Name: benzene; 2-(1-methylpyridin-1-ium-4-yl)ethyl-diphenyl-thioxo-phosphorane; iodide Formula: C26H27INPS MolecularWeight: 543.442511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CCP(=S)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=CC=C1.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)CCP(=S)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=CC=C1.[I-]

InChI

InChI=1S/C20H21NPS.C6H6.HI/c1-21-15-12-18(13-16-21)14-17-22(23,19-8-4-2-5-9-19)20-10-6-3-7-11-20;1-2-4-6-5-3-1;/h2-13,15-16H,14,17H2,1H3;1-6H;1H/q+1;;/p-1