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

Systemtic Name: 2-[(5-cyano-3,3-dimethyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]ethanoate Openeye Name: 2-[(5-cyano-3,3-dimethyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]acetate CAS Name: 2-[[5-cyano-3,3-dimethyl-8-(1-pyrrolidinyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl]thio]acetate IUPAC Name: 2-[(5-cyano-3,3-dimethyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyano-3,3-dimethyl-8-pyrrolidino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)thio]acetate Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CCCC3)SCC(=O)[O-])C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CCCC3)SCC(=O)[O-])C#N)C

InChI

InChI=1S/C17H21N3O3S/c1-17(2)7-11-12(8-18)16(24-10-14(21)22)19-15(13(11)9-23-17)20-5-3-4-6-20/h3-7,9-10H2,1-2H3,(H,21,22)