(3-cyano-3-phenyl-3-pyridin-2-yl-propyl)-ethoxycarbonyl-dimethyl-azanium chloride

Systemtic Name: (3-cyano-3-phenyl-3-pyridin-2-yl-propyl)-ethoxycarbonyl-dimethyl-azanium chloride Openeye Name: [3-cyano-3-phenyl-3-(2-pyridyl)propyl]-ethoxycarbonyl-dimethyl-ammonium chloride CAS Name: [3-cyano-3-phenyl-3-(2-pyridinyl)propyl]-ethoxycarbonyl-dimethylammonium chloride IUPAC Name: (3-cyano-3-phenyl-3-pyridin-2-ylpropyl)-ethoxycarbonyl-dimethylazanium chloride Traditional Name: carbethoxy-[3-cyano-3-phenyl-3-(2-pyridyl)propyl]-dimethyl-ammonium chloride Formula: C20H24ClN3O2 MolecularWeight: 373.87646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+](C)(C)CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=N2.[Cl-]

Isomeric SMILES

CCOC(=O)[N+](C)(C)CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=N2.[Cl-]

InChI

InChI=1S/C20H24N3O2.ClH/c1-4-25-19(24)23(2,3)15-13-20(16-21,17-10-6-5-7-11-17)18-12-8-9-14-22-18;/h5-12,14H,4,13,15H2,1-3H3;1H/q+1;/p-1