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

Systemtic Name: 6-(hexylamino)-3,3-dimethyl-8-propyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(hexylamino)-3,3-dimethyl-8-propyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-(hexylamino)-3,3-dimethyl-8-propyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(hexylamino)-3,3-dimethyl-8-propyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(hexylamino)-3,3-dimethyl-8-propyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C20H32N3S+ MolecularWeight: 346.55318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=[NH+]C(=C2CSC(CC2=C1C#N)(C)C)CCC

Isomeric SMILES

CCCCCCNC1=[NH+]C(=C2CSC(CC2=C1C#N)(C)C)CCC

InChI

InChI=1S/C20H31N3S/c1-5-7-8-9-11-22-19-16(13-21)15-12-20(3,4)24-14-17(15)18(23-19)10-6-2/h5-12,14H2,1-4H3,(H,22,23)/p+1