3,7-dimethyl-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)quinoline

Systemtic Name: 3,7-dimethyl-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)quinoline Openeye Name: 3,7-dimethyl-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)quinoline CAS Name: 3,7-dimethyl-2-[2-(1-pyrrolidin-1-iumyl)ethylthio]quinoline IUPAC Name: 3,7-dimethyl-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)quinoline Traditional Name: 3,7-dimethyl-2-(2-pyrrolidin-1-ium-1-ylethylthio)quinoline Formula: C17H23N2S+ MolecularWeight: 287.44292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C)SCC[NH+]3CCCC3

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C)SCC[NH+]3CCCC3

InChI

InChI=1S/C17H22N2S/c1-13-5-6-15-12-14(2)17(18-16(15)11-13)20-10-9-19-7-3-4-8-19/h5-6,11-12H,3-4,7-10H2,1-2H3/p+1