6-(2-hydroxyethylamino)-3,3-dimethyl-8-(phenylmethyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 6-(2-hydroxyethylamino)-3,3-dimethyl-8-(phenylmethyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-benzyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-(2-hydroxyethylamino)-3,3-dimethyl-8-(phenylmethyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-benzyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-benzyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C20H24N3O2+ MolecularWeight: 338.42346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2/c1-20(2)11-15-16(12-21)19(22-8-9-24)23-18(17(15)13-25-20)10-14-6-4-3-5-7-14/h3-7,24H,8-11,13H2,1-2H3,(H,22,23)/p+1