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

Systemtic Name: 8-butyl-6-(hexylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-butyl-6-(hexylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-butyl-6-(hexylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-butyl-6-(hexylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-butyl-6-(hexylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C21H34N3O+ MolecularWeight: 344.51416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O/c1-5-7-9-10-12-23-20-17(14-22)16-13-21(3,4)25-15-18(16)19(24-20)11-8-6-2/h5-13,15H2,1-4H3,(H,23,24)/p+1