N,N-dimethyl-6-methylsulfanyl-1-phenyl-2-propan-2-yl-2,3-dihydropyridin-1-ium-4-amine iodide

Systemtic Name: N,N-dimethyl-6-methylsulfanyl-1-phenyl-2-propan-2-yl-2,3-dihydropyridin-1-ium-4-amine iodide Openeye Name: 2-isopropyl-N,N-dimethyl-6-methylsulfanyl-1-phenyl-2,3-dihydropyridin-1-ium-4-amine iodide CAS Name: N,N-dimethyl-6-(methylthio)-1-phenyl-2-propan-2-yl-2,3-dihydropyridin-1-ium-4-amine iodide IUPAC Name: N,N-dimethyl-6-methylsulfanyl-1-phenyl-2-propan-2-yl-2,3-dihydropyridin-1-ium-4-amine iodide Traditional Name: [2-isopropyl-6-(methylthio)-1-phenyl-2,3-dihydropyridin-1-ium-4-yl]-dimethyl-amine iodide Formula: C17H25IN2S MolecularWeight: 416.36327

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(=CC(=[N+]1C2=CC=CC=C2)SC)N(C)C.[I-]

Isomeric SMILES

CC(C)C1CC(=CC(=[N+]1C2=CC=CC=C2)SC)N(C)C.[I-]

InChI

InChI=1S/C17H25N2S.HI/c1-13(2)16-11-15(18(3)4)12-17(20-5)19(16)14-9-7-6-8-10-14;/h6-10,12-13,16H,11H2,1-5H3;1H/q+1;/p-1