methyl 5-methylidene-7-quinolin-1-ium-6-yl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-methylidene-7-quinolin-1-ium-6-yl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: methyl 5-methylene-7-quinolin-1-ium-6-yl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methylene-7-(6-quinolin-1-iumyl)-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methylidene-7-quinolin-1-ium-6-yl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methylene-7-quinolin-1-ium-6-yl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid methyl ester Formula: C17H16N5O2+ MolecularWeight: 322.34124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(N2C(=NC1=C)N=CN2)C3=CC4=C(C=C3)[NH+]=CC=C4

Isomeric SMILES

COC(=O)C1C(N2C(=NC1=C)N=CN2)C3=CC4=C(C=C3)[NH+]=CC=C4

InChI

InChI=1S/C17H15N5O2/c1-10-14(16(23)24-2)15(22-17(21-10)19-9-20-22)12-5-6-13-11(8-12)4-3-7-18-13/h3-9,14-15H,1H2,2H3,(H,19,20,21)/p+1