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

Systemtic Name: 8-butyl-6-(furan-2-ylmethylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-butyl-6-(2-furylmethylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-butyl-6-(2-furanylmethylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-butyl-6-(furan-2-ylmethylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-butyl-6-(2-furfurylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2COC(CC2=C(C(=[NH+]1)NCC3=CC=CO3)C#N)(C)C

Isomeric SMILES

CCCCC1=C2COC(CC2=C(C(=[NH+]1)NCC3=CC=CO3)C#N)(C)C

InChI

InChI=1S/C20H25N3O2/c1-4-5-8-18-17-13-25-20(2,3)10-15(17)16(11-21)19(23-18)22-12-14-7-6-9-24-14/h6-7,9H,4-5,8,10,12-13H2,1-3H3,(H,22,23)/p+1