ethyl 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: ethyl 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: ethyl 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]acetic acid ethyl ester IUPAC Name: ethyl 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]acetic acid ethyl ester Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S/c1-4-24-16(23)12-26-18-14(10-20)13-9-19(2,3)25-11-15(13)17(21-18)22-7-5-6-8-22/h4-9,11-12H2,1-3H3/p+1