7,7-dimethyl-2-[(phenylmethyl)amino]-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile

Systemtic Name: 7,7-dimethyl-2-[(phenylmethyl)amino]-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-(benzylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile CAS Name: 7,7-dimethyl-2-[(phenylmethyl)amino]-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-(benzylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-(benzylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile Formula: C18H20N3O+ MolecularWeight: 294.3709

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)C=C(C(=[NH+]2)NCC3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1(CC2=C(CO1)C=C(C(=[NH+]2)NCC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C18H19N3O/c1-18(2)9-16-15(12-22-18)8-14(10-19)17(21-16)20-11-13-6-4-3-5-7-13/h3-8H,9,11-12H2,1-2H3,(H,20,21)/p+1