4,8-dimethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline

Systemtic Name: 4,8-dimethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline Openeye Name: 4,8-dimethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline CAS Name: 4,8-dimethyl-2-[2-(1-piperidin-1-iumyl)ethylthio]quinoline IUPAC Name: 4,8-dimethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline Traditional Name: 4,8-dimethyl-2-(2-piperidin-1-ium-1-ylethylthio)quinoline Formula: C18H25N2S+ MolecularWeight: 301.4695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC[NH+]3CCCCC3

InChI

InChI=1S/C18H24N2S/c1-14-7-6-8-16-15(2)13-17(19-18(14)16)21-12-11-20-9-4-3-5-10-20/h6-8,13H,3-5,9-12H2,1-2H3/p+1