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

Systemtic Name: 8-(furan-2-yl)-6-(hexylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-(2-furyl)-6-(hexylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-(2-furanyl)-6-(hexylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-(furan-2-yl)-6-(hexylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-(2-furyl)-6-(hexylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)C3=CC=CO3

Isomeric SMILES

CCCCCCNC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)C3=CC=CO3

InChI

InChI=1S/C21H27N3O2/c1-4-5-6-7-10-23-20-16(13-22)15-12-21(2,3)26-14-17(15)19(24-20)18-9-8-11-25-18/h8-9,11H,4-7,10,12,14H2,1-3H3,(H,23,24)/p+1