methyl 4-[[4-[5-[(2-methoxyphenyl)carbonylamino]pyrazol-1-yl]piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[5-[(2-methoxyphenyl)carbonylamino]pyrazol-1-yl]piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[5-[(2-methoxybenzoyl)amino]pyrazol-1-yl]piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[5-[[(2-methoxyphenyl)-oxomethyl]amino]-1-pyrazolyl]-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[5-[(2-methoxybenzoyl)amino]pyrazol-1-yl]piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-[5-(o-anisoylamino)pyrazol-1-yl]piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C25H29N4O4+ MolecularWeight: 449.52216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H28N4O4/c1-32-22-6-4-3-5-21(22)24(30)27-23-11-14-26-29(23)20-12-15-28(16-13-20)17-18-7-9-19(10-8-18)25(31)33-2/h3-11,14,20H,12-13,15-17H2,1-2H3,(H,27,30)/p+1