8-butyl-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-butyl-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-butyl-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-butyl-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-butyl-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-butyl-6-[4-(2-furoyl)piperazino]-3,3-dimethyl-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:

CCCCC1=C2CSC(CC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C4=CC=CO4)C#N)(C)C

Isomeric SMILES

CCCCC1=C2CSC(CC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C4=CC=CO4)C#N)(C)C

InChI

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