2-[[3-cyano-2-(dimethylamino)pyridin-4-yl]-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-cyano-2-(dimethylamino)pyridin-4-yl]-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[3-cyano-2-(dimethylamino)-4-pyridyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-cyano-2-(dimethylamino)-4-pyridinyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[3-cyano-2-(dimethylamino)pyridin-4-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[3-cyano-2-(dimethylamino)-4-pyridyl]amino]ethyl-dimethyl-ammonium Formula: C19H26N5+ MolecularWeight: 324.44324

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC=CC=C1)C2=C(C(=NC=C2)N(C)C)C#N

Isomeric SMILES

C[NH+](C)CCN(CC1=CC=CC=C1)C2=C(C(=NC=C2)N(C)C)C#N

InChI

InChI=1S/C19H25N5/c1-22(2)12-13-24(15-16-8-6-5-7-9-16)18-10-11-21-19(23(3)4)17(18)14-20/h5-11H,12-13,15H2,1-4H3/p+1