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

Systemtic Name: 6-butylsulfanyl-3,3-dimethyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-butylsulfanyl-3,3-dimethyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-(butylthio)-3,3-dimethyl-8-(1-pyrrolidinyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-butylsulfanyl-3,3-dimethyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(butylthio)-3,3-dimethyl-8-pyrrolidino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C19H28N3OS+ MolecularWeight: 346.51012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)N3CCCC3

Isomeric SMILES

CCCCSC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)N3CCCC3

InChI

InChI=1S/C19H27N3OS/c1-4-5-10-24-18-15(12-20)14-11-19(2,3)23-13-16(14)17(21-18)22-8-6-7-9-22/h4-11,13H2,1-3H3/p+1