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

Systemtic Name: ethyl 5-methylidene-7-quinolin-1-ium-6-yl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H18N5O2+ MolecularWeight: 336.36782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O2/c1-3-25-17(24)15-11(2)22-18-20-10-21-23(18)16(15)13-6-7-14-12(9-13)5-4-8-19-14/h4-10,15-16H,2-3H2,1H3,(H,20,21,22)/p+1