2-chloranyl-3-[[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methylsulfanyl-quinoline

Systemtic Name: 2-chloranyl-3-[[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methylsulfanyl-quinoline Openeye Name: 2-chloro-3-[[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methylsulfanyl-quinoline CAS Name: 2-chloro-3-[[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-7-(methylthio)quinoline IUPAC Name: 2-chloro-3-[[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methylsulfanylquinoline Traditional Name: 2-chloro-3-[[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-(methylthio)quinoline Formula: C18H24ClN2S+ MolecularWeight: 335.91456

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=C(N=C3C=C(C=CC3=C2)SC)Cl)C

Isomeric SMILES

C[C@@H]1C[C@@H](C[NH+](C1)CC2=C(N=C3C=C(C=CC3=C2)SC)Cl)C

InChI

InChI=1S/C18H23ClN2S/c1-12-6-13(2)10-21(9-12)11-15-7-14-4-5-16(22-3)8-17(14)20-18(15)19/h4-5,7-8,12-13H,6,9-11H2,1-3H3/p+1/t12-,13+