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

Systemtic Name: 8-ethyl-6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-ethyl-6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-ethyl-6-[4-(2-furoyl)piperazino]-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CSC(CC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C4=CC=CO4)C#N)(C)C

Isomeric SMILES

CCC1=C2CSC(CC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C4=CC=CO4)C#N)(C)C

InChI

InChI=1S/C22H26N4O2S/c1-4-18-17-14-29-22(2,3)12-15(17)16(13-23)20(24-18)25-7-9-26(10-8-25)21(27)19-6-5-11-28-19/h5-6,11H,4,7-10,12,14H2,1-3H3/p+1