6-methylsulfanyl-8-phenyl-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-5-ium iodide

Systemtic Name: 6-methylsulfanyl-8-phenyl-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-5-ium iodide Openeye Name: 5-isopropyl-6-methylsulfanyl-8-phenyl-[1,3]dioxolo[4,5-g]quinazolin-5-ium iodide CAS Name: 6-(methylthio)-8-phenyl-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-5-ium iodide IUPAC Name: 6-methylsulfanyl-8-phenyl-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-5-ium iodide Traditional Name: 5-isopropyl-6-(methylthio)-8-phenyl-[1,3]dioxolo[4,5-g]quinazolin-5-ium iodide Formula: C19H19IN2O2S MolecularWeight: 466.33583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=C(N=C(C2=CC3=C(C=C21)OCO3)C4=CC=CC=C4)SC.[I-]

Isomeric SMILES

CC(C)[N+]1=C(N=C(C2=CC3=C(C=C21)OCO3)C4=CC=CC=C4)SC.[I-]

InChI

InChI=1S/C19H19N2O2S.HI/c1-12(2)21-15-10-17-16(22-11-23-17)9-14(15)18(20-19(21)24-3)13-7-5-4-6-8-13;/h4-10,12H,11H2,1-3H3;1H/q+1;/p-1