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

Systemtic Name: 3,3-dimethyl-6-(3-methylbutylsulfanyl)-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-isopentylsulfanyl-3,3-dimethyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-(3-methylbutylthio)-8-(1-pyrrolidinyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-6-(3-methylbutylsulfanyl)-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(isoamylthio)-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:

CC(C)CCSC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)N3CCCC3

Isomeric SMILES

CC(C)CCSC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)N3CCCC3

InChI

InChI=1S/C20H29N3OS/c1-14(2)7-10-25-19-16(12-21)15-11-20(3,4)24-13-17(15)18(22-19)23-8-5-6-9-23/h14H,5-11,13H2,1-4H3/p+1