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

Systemtic Name: 6-(4-ethanoylpiperazin-1-yl)-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(4-acetylpiperazin-1-yl)-8-(2-furyl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-(4-acetyl-1-piperazinyl)-8-(2-furanyl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(4-acetylpiperazin-1-yl)-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(4-acetylpiperazino)-8-(2-furyl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-14(26)24-6-8-25(9-7-24)20-16(12-22)15-11-21(2,3)28-13-17(15)19(23-20)18-5-4-10-27-18/h4-5,10H,6-9,11,13H2,1-3H3/p+1