methyl 1-[2-[(5-cyclopentyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(5-cyclopentyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[(5-cyclopentyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(5-cyclopentyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(5-cyclopentyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(5-cyclopentyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C23H31N4O3+ MolecularWeight: 411.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CCCC4

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CCCC4

InChI

InChI=1S/C23H30N4O3/c1-30-23(29)18-11-13-26(14-12-18)16-22(28)24-21-15-20(17-7-5-6-8-17)25-27(21)19-9-3-2-4-10-19/h2-4,9-10,15,17-18H,5-8,11-14,16H2,1H3,(H,24,28)/p+1