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

Systemtic Name: 8-butyl-3,3-dimethyl-6-[4-(phenylcarbonyl)piperazin-1-yl]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(4-benzoylpiperazin-1-yl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-(4-benzoyl-1-piperazinyl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(4-benzoylpiperazin-1-yl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(4-benzoylpiperazino)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C26H33N4OS+ MolecularWeight: 449.63142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4OS/c1-4-5-11-23-22-18-32-26(2,3)16-20(22)21(17-27)24(28-23)29-12-14-30(15-13-29)25(31)19-9-7-6-8-10-19/h6-10H,4-5,11-16,18H2,1-3H3/p+1