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

Systemtic Name: 8-butyl-6-(4-ethanoylpiperazin-1-yl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(4-acetylpiperazin-1-yl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-(4-acetyl-1-piperazinyl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(4-acetylpiperazin-1-yl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(4-acetylpiperazino)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C21H31N4OS+ MolecularWeight: 387.56204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4OS/c1-5-6-7-19-18-14-27-21(3,4)12-16(18)17(13-22)20(23-19)25-10-8-24(9-11-25)15(2)26/h5-12,14H2,1-4H3/p+1