1-methyl-4-methylsulfanyl-2-propyl-quinazolin-1-ium iodide

Systemtic Name: 1-methyl-4-methylsulfanyl-2-propyl-quinazolin-1-ium iodide Openeye Name: 1-methyl-4-methylsulfanyl-2-propyl-quinazolin-1-ium iodide CAS Name: 1-methyl-4-(methylthio)-2-propylquinazolin-1-ium iodide IUPAC Name: 1-methyl-4-methylsulfanyl-2-propylquinazolin-1-ium iodide Traditional Name: 1-methyl-4-(methylthio)-2-propyl-quinazolin-1-ium iodide Formula: C13H17IN2S MolecularWeight: 360.25695

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C2=CC=CC=C2C(=N1)SC)C.[I-]

Isomeric SMILES

CCCC1=[N+](C2=CC=CC=C2C(=N1)SC)C.[I-]

InChI

InChI=1S/C13H17N2S.HI/c1-4-7-12-14-13(16-3)10-8-5-6-9-11(10)15(12)2;/h5-6,8-9H,4,7H2,1-3H3;1H/q+1;/p-1