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

Systemtic Name: (3-cyano-3-phenyl-3-pyridin-2-yl-propyl)-ethoxycarbonyl-dimethyl-azanium Openeye Name: [3-cyano-3-phenyl-3-(2-pyridyl)propyl]-ethoxycarbonyl-dimethyl-ammonium CAS Name: [3-cyano-3-phenyl-3-(2-pyridinyl)propyl]-ethoxycarbonyl-dimethylammonium IUPAC Name: (3-cyano-3-phenyl-3-pyridin-2-ylpropyl)-ethoxycarbonyl-dimethylazanium Traditional Name: carbethoxy-[3-cyano-3-phenyl-3-(2-pyridyl)propyl]-dimethyl-ammonium Formula: C20H24N3O2+ MolecularWeight: 338.42346

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N3O2/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/q+1