2-[[3-cyano-2-(dimethylamino)pyridin-1-ium-4-yl]-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-cyano-2-(dimethylamino)pyridin-1-ium-4-yl]-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[3-cyano-2-(dimethylamino)pyridin-1-ium-4-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-cyano-2-(dimethylamino)-4-pyridin-1-iumyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[3-cyano-2-(dimethylamino)pyridin-1-ium-4-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[3-cyano-2-(dimethylamino)pyridin-1-ium-4-yl]amino]ethyl-dimethyl-ammonium Formula: C19H27N5+2 MolecularWeight: 325.45118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+](C)CCN(CC1=CC=CC=C1)C2=C(C(=[NH+]C=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+2