3,3-dimethyl-6-(phenethylamino)-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 3,3-dimethyl-6-(phenethylamino)-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 3,3-dimethyl-6-(phenethylamino)-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-(phenethylamino)-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-6-(phenethylamino)-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 3,3-dimethyl-6-(phenethylamino)-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C25H26N3O+ MolecularWeight: 384.49344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CO1)C3=CC=CC=C3)NCCC4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CO1)C3=CC=CC=C3)NCCC4=CC=CC=C4)C#N)C

InChI

InChI=1S/C25H25N3O/c1-25(2)15-20-21(16-26)24(27-14-13-18-9-5-3-6-10-18)28-23(22(20)17-29-25)19-11-7-4-8-12-19/h3-12H,13-15,17H2,1-2H3,(H,27,28)/p+1