4-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline

Systemtic Name: 4-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline Openeye Name: 4-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline CAS Name: 4-methyl-2-[2-(1-piperidin-1-iumyl)ethylthio]quinoline IUPAC Name: 4-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline Traditional Name: 4-methyl-2-(2-piperidin-1-ium-1-ylethylthio)quinoline Formula: C17H23N2S+ MolecularWeight: 287.44292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC[NH+]3CCCCC3

InChI

InChI=1S/C17H22N2S/c1-14-13-17(18-16-8-4-3-7-15(14)16)20-12-11-19-9-5-2-6-10-19/h3-4,7-8,13H,2,5-6,9-12H2,1H3/p+1