4-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-7-methylsulfanyl-quinoline

Systemtic Name: 4-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-7-methylsulfanyl-quinoline Openeye Name: 4-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-7-methylsulfanyl-quinoline CAS Name: 4-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-7-(methylthio)quinoline IUPAC Name: 4-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-7-methylsulfanylquinoline Traditional Name: 4-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-7-(methylthio)quinoline Formula: C17H24N3S+ MolecularWeight: 302.45756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)SC)N3CCC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)SC)N3CCC[NH+](CC3)C

InChI

InChI=1S/C17H23N3S/c1-13-11-17(20-8-4-7-19(2)9-10-20)18-16-12-14(21-3)5-6-15(13)16/h5-6,11-12H,4,7-10H2,1-3H3/p+1