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

Systemtic Name: 8-ethyl-3,3-dimethyl-6-(3-oxidanylpropylamino)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-ethyl-6-(3-hydroxypropylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-ethyl-6-(3-hydroxypropylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-ethyl-6-(3-hydroxypropylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-ethyl-6-(3-hydroxypropylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C16H24N3OS+ MolecularWeight: 306.44626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CSC(CC2=C(C(=[NH+]1)NCCCO)C#N)(C)C

Isomeric SMILES

CCC1=C2CSC(CC2=C(C(=[NH+]1)NCCCO)C#N)(C)C

InChI

InChI=1S/C16H23N3OS/c1-4-14-13-10-21-16(2,3)8-11(13)12(9-17)15(19-14)18-6-5-7-20/h20H,4-8,10H2,1-3H3,(H,18,19)/p+1