3,3-dimethyl-6-pentylsulfanyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 3,3-dimethyl-6-pentylsulfanyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 3,3-dimethyl-6-pentylsulfanyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-(pentylthio)-8-(1-pyrrolidinyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-6-pentylsulfanyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(amylthio)-3,3-dimethyl-8-pyrrolidino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C20H30N3OS+ MolecularWeight: 360.5367

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)N3CCCC3

Isomeric SMILES

CCCCCSC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)N3CCCC3

InChI

InChI=1S/C20H29N3OS/c1-4-5-8-11-25-19-16(13-21)15-12-20(2,3)24-14-17(15)18(22-19)23-9-6-7-10-23/h4-12,14H2,1-3H3/p+1