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

Systemtic Name: 3,3-dimethyl-8-(3-oxidanylpropylamino)-6-phenylazanyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-anilino-8-(3-hydroxypropylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-anilino-8-(3-hydroxypropylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-anilino-8-(3-hydroxypropylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-anilino-8-(3-hydroxypropylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CO1)NCCCO)NC3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CO1)NCCCO)NC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C20H24N4O2/c1-20(2)11-15-16(12-21)19(23-14-7-4-3-5-8-14)24-18(17(15)13-26-20)22-9-6-10-25/h3-5,7-8,25H,6,9-11,13H2,1-2H3,(H2,22,23,24)/p+1