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

Systemtic Name: 8-ethyl-3,3-dimethyl-6-(4-pentanoylpiperazin-1-yl)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-ethyl-3,3-dimethyl-6-(4-pentanoylpiperazin-1-yl)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-ethyl-3,3-dimethyl-6-[4-(1-oxopentyl)-1-piperazinyl]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-ethyl-3,3-dimethyl-6-(4-pentanoylpiperazin-1-yl)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-ethyl-3,3-dimethyl-6-(4-valerylpiperazino)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C22H33N4OS+ MolecularWeight: 401.58862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4OS/c1-5-7-8-20(27)25-9-11-26(12-10-25)21-17(14-23)16-13-22(3,4)28-15-18(16)19(6-2)24-21/h5-13,15H2,1-4H3/p+1