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

Systemtic Name: 2-[[5-cyano-3,3-dimethyl-8-(phenylmethyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl]amino]ethylazanium Openeye Name: 2-[(8-benzyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)amino]ethylammonium CAS Name: 2-[[5-cyano-3,3-dimethyl-8-(phenylmethyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl]amino]ethylammonium IUPAC Name: 2-[(8-benzyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)amino]ethylazanium Traditional Name: 2-[(8-benzyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)amino]ethylammonium Formula: C20H26N4O+2 MolecularWeight: 338.44664

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CO1)CC3=CC=CC=C3)NCC[NH3+])C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CO1)CC3=CC=CC=C3)NCC[NH3+])C#N)C

InChI

InChI=1S/C20H24N4O/c1-20(2)11-15-16(12-22)19(23-9-8-21)24-18(17(15)13-25-20)10-14-6-4-3-5-7-14/h3-7H,8-11,13,21H2,1-2H3,(H,23,24)/p+2