2-(azepan-1-yl)-4-methyl-8-methylsulfanyl-quinolin-1-ium

Systemtic Name: 2-(azepan-1-yl)-4-methyl-8-methylsulfanyl-quinolin-1-ium Openeye Name: 2-(azepan-1-yl)-4-methyl-8-methylsulfanyl-quinolin-1-ium CAS Name: 2-(1-azepanyl)-4-methyl-8-(methylthio)quinolin-1-ium IUPAC Name: 2-(azepan-1-yl)-4-methyl-8-methylsulfanylquinolin-1-ium Traditional Name: 2-(azepan-1-yl)-4-methyl-8-(methylthio)quinolin-1-ium Formula: C17H23N2S+ MolecularWeight: 287.44292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C=CC=C2SC)N3CCCCCC3

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C=CC=C2SC)N3CCCCCC3

InChI

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