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

Systemtic Name: 6-(hexylamino)-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(hexylamino)-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-(hexylamino)-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(hexylamino)-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(hexylamino)-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C23H30N3O+ MolecularWeight: 364.5038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCNC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O/c1-4-5-6-10-13-25-22-19(15-24)18-14-23(2,3)27-16-20(18)21(26-22)17-11-8-7-9-12-17/h7-9,11-12H,4-6,10,13-14,16H2,1-3H3,(H,25,26)/p+1