2-[(5-cyano-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5-cyano-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-cyano-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5-cyano-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(5-cyano-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5-cyano-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)amino]ethyl-dimethyl-ammonium Formula: C21H28N4O+2 MolecularWeight: 352.47322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CO1)C3=CC=CC=C3)NCC[NH+](C)C)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CO1)C3=CC=CC=C3)NCC[NH+](C)C)C#N)C

InChI

InChI=1S/C21H26N4O/c1-21(2)12-16-17(13-22)20(23-10-11-25(3)4)24-19(18(16)14-26-21)15-8-6-5-7-9-15/h5-9H,10-12,14H2,1-4H3,(H,23,24)/p+2