ethyl 1-(1-methyl-2-oxidanylidene-quinolin-4-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(1-methyl-2-oxidanylidene-quinolin-4-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(1-methyl-2-oxo-4-quinolyl)-5-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-carboxylate CAS Name: 1-(1-methyl-2-oxo-4-quinolinyl)-5-(1-pyrrolidin-1-iumylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-carboxylate Traditional Name: 1-(2-keto-1-methyl-4-quinolyl)-5-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C21H25N4O3+ MolecularWeight: 381.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)C[NH+]4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)C[NH+]4CCCC4

InChI

InChI=1S/C21H24N4O3/c1-3-28-21(27)16-13-22-25(19(16)14-24-10-6-7-11-24)18-12-20(26)23(2)17-9-5-4-8-15(17)18/h4-5,8-9,12-13H,3,6-7,10-11,14H2,1-2H3/p+1