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

Systemtic Name: 8-(furan-2-yl)-3,3-dimethyl-6-piperazin-4-ium-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-(2-furyl)-3,3-dimethyl-6-piperazin-4-ium-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-(2-furanyl)-3,3-dimethyl-6-(1-piperazin-4-iumyl)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-(furan-2-yl)-3,3-dimethyl-6-piperazin-4-ium-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-(2-furyl)-3,3-dimethyl-6-piperazin-4-ium-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C19H24N4OS+2 MolecularWeight: 356.48506

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CS1)C3=CC=CO3)N4CC[NH2+]CC4)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CS1)C3=CC=CO3)N4CC[NH2+]CC4)C#N)C

InChI

InChI=1S/C19H22N4OS/c1-19(2)10-13-14(11-20)18(23-7-5-21-6-8-23)22-17(15(13)12-25-19)16-4-3-9-24-16/h3-4,9,21H,5-8,10,12H2,1-2H3/p+2