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

Systemtic Name: 8-(furan-2-yl)-3,3-dimethyl-6-(4-pentanoylpiperazin-1-yl)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-(2-furyl)-3,3-dimethyl-6-(4-pentanoylpiperazin-1-yl)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-(2-furanyl)-3,3-dimethyl-6-[4-(1-oxopentyl)-1-piperazinyl]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-(furan-2-yl)-3,3-dimethyl-6-(4-pentanoylpiperazin-1-yl)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-(2-furyl)-3,3-dimethyl-6-(4-valerylpiperazino)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C24H31N4O2S+ MolecularWeight: 439.59354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O2S/c1-4-5-8-21(29)27-9-11-28(12-10-27)23-18(15-25)17-14-24(2,3)31-16-19(17)22(26-23)20-7-6-13-30-20/h6-7,13H,4-5,8-12,14,16H2,1-3H3/p+1