3-ethyl-6,7-dimethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline

Systemtic Name: 3-ethyl-6,7-dimethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline Openeye Name: 3-ethyl-6,7-dimethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline CAS Name: 3-ethyl-6,7-dimethyl-2-[2-(1-piperidin-1-iumyl)ethylthio]quinoline IUPAC Name: 3-ethyl-6,7-dimethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline Traditional Name: 3-ethyl-6,7-dimethyl-2-(2-piperidin-1-ium-1-ylethylthio)quinoline Formula: C20H29N2S+ MolecularWeight: 329.52266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC(=C(C=C2N=C1SCC[NH+]3CCCCC3)C)C

Isomeric SMILES

CCC1=CC2=CC(=C(C=C2N=C1SCC[NH+]3CCCCC3)C)C

InChI

InChI=1S/C20H28N2S/c1-4-17-14-18-12-15(2)16(3)13-19(18)21-20(17)23-11-10-22-8-6-5-7-9-22/h12-14H,4-11H2,1-3H3/p+1