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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC=CC=C1)C2=[NH+]C=CC(=C2C#N)N(C)C

Isomeric SMILES

C[NH+](C)CCN(CC1=CC=CC=C1)C2=[NH+]C=CC(=C2C#N)N(C)C

InChI

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