2-chloranyl-7-methylsulfanyl-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]quinoline

Systemtic Name: 2-chloranyl-7-methylsulfanyl-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]quinoline Openeye Name: 2-chloro-7-methylsulfanyl-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]quinoline CAS Name: 2-chloro-7-(methylthio)-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]quinoline IUPAC Name: 2-chloro-7-methylsulfanyl-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]quinoline Traditional Name: 2-chloro-7-(methylthio)-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]quinoline Formula: C22H22ClN2S+ MolecularWeight: 381.94148

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)C[NH+]3CCC(=CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)C[NH+]3CCC(=CC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H21ClN2S/c1-26-20-8-7-18-13-19(22(23)24-21(18)14-20)15-25-11-9-17(10-12-25)16-5-3-2-4-6-16/h2-9,13-14H,10-12,15H2,1H3/p+1