3,3-dimethyl-6-(2-methylpropylsulfanyl)-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 3,3-dimethyl-6-(2-methylpropylsulfanyl)-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-isobutylsulfanyl-3,3-dimethyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-(2-methylpropylthio)-8-(1-pyrrolidinyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-6-(2-methylpropylsulfanyl)-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(isobutylthio)-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:

CC(C)CSC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)N3CCCC3

Isomeric SMILES

CC(C)CSC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)N3CCCC3

InChI

InChI=1S/C19H27N3OS/c1-13(2)12-24-18-15(10-20)14-9-19(3,4)23-11-16(14)17(21-18)22-7-5-6-8-22/h13H,5-9,11-12H2,1-4H3/p+1