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

Systemtic Name: methyl 2-[(5-cyano-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(5-cyano-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetate CAS Name: 2-[[5-cyano-3,3-dimethyl-8-(1-piperazin-4-iumyl)-1,4-dihydropyrano[3,4-c]pyridin-6-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-cyano-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyano-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)thio]acetic acid methyl ester Formula: C18H25N4O3S+ MolecularWeight: 377.4811

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=NC(=C2CO1)N3CC[NH2+]CC3)SCC(=O)OC)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=NC(=C2CO1)N3CC[NH2+]CC3)SCC(=O)OC)C#N)C

InChI

InChI=1S/C18H24N4O3S/c1-18(2)8-12-13(9-19)17(26-11-15(23)24-3)21-16(14(12)10-25-18)22-6-4-20-5-7-22/h20H,4-8,10-11H2,1-3H3/p+1