methyl 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: methyl 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: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H24N3O3S+ MolecularWeight: 362.46646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-18(2)8-12-13(9-19)17(25-11-15(22)23-3)20-16(14(12)10-24-18)21-6-4-5-7-21/h4-8,10-11H2,1-3H3/p+1