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

Systemtic Name: 8-(furan-2-yl)-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-(2-furyl)-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-(2-furanyl)-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-(furan-2-yl)-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-(2-furyl)-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C17H20N3O2S+ MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CS1)C3=CC=CO3)NCCO)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CS1)C3=CC=CO3)NCCO)C#N)C

InChI

InChI=1S/C17H19N3O2S/c1-17(2)8-11-12(9-18)16(19-5-6-21)20-15(13(11)10-23-17)14-4-3-7-22-14/h3-4,7,21H,5-6,8,10H2,1-2H3,(H,19,20)/p+1