2-(azepan-1-yl)-4-methyl-6-methylsulfanyl-quinolin-1-ium

Systemtic Name: 2-(azepan-1-yl)-4-methyl-6-methylsulfanyl-quinolin-1-ium Openeye Name: 2-(azepan-1-yl)-4-methyl-6-methylsulfanyl-quinolin-1-ium CAS Name: 2-(1-azepanyl)-4-methyl-6-(methylthio)quinolin-1-ium IUPAC Name: 2-(azepan-1-yl)-4-methyl-6-methylsulfanylquinolin-1-ium Traditional Name: 2-(azepan-1-yl)-4-methyl-6-(methylthio)quinolin-1-ium Formula: C17H23N2S+ MolecularWeight: 287.44292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C=C(C=C2)SC)N3CCCCCC3

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C=C(C=C2)SC)N3CCCCCC3

InChI

InChI=1S/C17H22N2S/c1-13-11-17(19-9-5-3-4-6-10-19)18-16-8-7-14(20-2)12-15(13)16/h7-8,11-12H,3-6,9-10H2,1-2H3/p+1