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

Systemtic Name: 3,3-dimethyl-6-propan-2-ylsulfanyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-isopropylsulfanyl-3,3-dimethyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-(propan-2-ylthio)-8-(1-pyrrolidinyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-6-propan-2-ylsulfanyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(isopropylthio)-3,3-dimethyl-8-pyrrolidino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C18H26N3OS+ MolecularWeight: 332.48354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)N3CCCC3

Isomeric SMILES

CC(C)SC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)N3CCCC3

InChI

InChI=1S/C18H25N3OS/c1-12(2)23-17-14(10-19)13-9-18(3,4)22-11-15(13)16(20-17)21-7-5-6-8-21/h12H,5-9,11H2,1-4H3/p+1