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

Systemtic Name: 6-(4-butanoylpiperazin-1-yl)-8-(furan-3-yl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(4-butanoylpiperazin-1-yl)-8-(3-furyl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-(3-furanyl)-3,3-dimethyl-6-[4-(1-oxobutyl)-1-piperazinyl]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(4-butanoylpiperazin-1-yl)-8-(furan-3-yl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(4-butyrylpiperazino)-8-(3-furyl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-4-5-20(28)26-7-9-27(10-8-26)22-18(13-24)17-12-23(2,3)30-15-19(17)21(25-22)16-6-11-29-14-16/h6,11,14H,4-5,7-10,12,15H2,1-3H3/p+1