2-(5-chloranyl-1-methyl-2-propan-2-yl-pyridin-1-ium-4-yl)-2-(4-chlorophenyl)ethanenitrile chloride

Systemtic Name: 2-(5-chloranyl-1-methyl-2-propan-2-yl-pyridin-1-ium-4-yl)-2-(4-chlorophenyl)ethanenitrile chloride Openeye Name: 2-(5-chloro-2-isopropyl-1-methyl-pyridin-1-ium-4-yl)-2-(4-chlorophenyl)acetonitrile chloride CAS Name: 2-(5-chloro-1-methyl-2-propan-2-yl-4-pyridin-1-iumyl)-2-(4-chlorophenyl)acetonitrile chloride IUPAC Name: 2-(5-chloro-1-methyl-2-propan-2-ylpyridin-1-ium-4-yl)-2-(4-chlorophenyl)acetonitrile chloride Traditional Name: 2-(5-chloro-2-isopropyl-1-methyl-pyridin-1-ium-4-yl)-2-(4-chlorophenyl)acetonitrile chloride Formula: C17H17Cl3N2 MolecularWeight: 355.68928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C=C(C(=C1)C(C#N)C2=CC=C(C=C2)Cl)Cl)C.[Cl-]

Isomeric SMILES

CC(C)C1=[N+](C=C(C(=C1)C(C#N)C2=CC=C(C=C2)Cl)Cl)C.[Cl-]

InChI

InChI=1S/C17H17Cl2N2.ClH/c1-11(2)17-8-14(16(19)10-21(17)3)15(9-20)12-4-6-13(18)7-5-12;/h4-8,10-11,15H,1-3H3;1H/q+1;/p-1