methyl 2-[4-[C-methyl-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]-5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4-[C-methyl-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]-5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[4-[C-methyl-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetate CAS Name: 2-[4-[1-[3-(4-morpholin-4-iumyl)propylimino]ethyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[C-methyl-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetate Traditional Name: 2-[5-keto-4-[C-methyl-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]-1-phenyl-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C21H29N4O4+ MolecularWeight: 401.47936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCC[NH+]1CCOCC1)C2C(=NN(C2=O)C3=CC=CC=C3)CC(=O)OC

Isomeric SMILES

CC(=NCCC[NH+]1CCOCC1)C2C(=NN(C2=O)C3=CC=CC=C3)CC(=O)OC

InChI

InChI=1S/C21H28N4O4/c1-16(22-9-6-10-24-11-13-29-14-12-24)20-18(15-19(26)28-2)23-25(21(20)27)17-7-4-3-5-8-17/h3-5,7-8,20H,6,9-15H2,1-2H3/p+1