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

Systemtic Name: 8-(furan-2-yl)-3,3-dimethyl-6-(4-propanoylpiperazin-1-yl)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-(2-furyl)-3,3-dimethyl-6-(4-propanoylpiperazin-1-yl)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-(2-furanyl)-3,3-dimethyl-6-[4-(1-oxopropyl)-1-piperazinyl]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-(furan-2-yl)-3,3-dimethyl-6-(4-propanoylpiperazin-1-yl)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-(2-furyl)-3,3-dimethyl-6-(4-propionylpiperazino)-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:

CCC(=O)N1CCN(CC1)C2=[NH+]C(=C3CSC(CC3=C2C#N)(C)C)C4=CC=CO4

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=[NH+]C(=C3CSC(CC3=C2C#N)(C)C)C4=CC=CO4

InChI

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