8-butyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 8-butyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-butyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-butyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-butyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-butyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C17H26N3OS+ MolecularWeight: 320.47284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CSC(CC2=C(C(=[NH+]1)NCCO)C#N)(C)C

Isomeric SMILES

CCCCC1=C2CSC(CC2=C(C(=[NH+]1)NCCO)C#N)(C)C

InChI

InChI=1S/C17H25N3OS/c1-4-5-6-15-14-11-22-17(2,3)9-12(14)13(10-18)16(20-15)19-7-8-21/h21H,4-9,11H2,1-3H3,(H,19,20)/p+1