methyl 4-[[4-(5-acetamidopyrazol-1-yl)piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(5-acetamidopyrazol-1-yl)piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(5-acetamidopyrazol-1-yl)piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(5-acetamido-1-pyrazolyl)-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(5-acetamidopyrazol-1-yl)piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-(5-acetamidopyrazol-1-yl)piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C19H25N4O3+ MolecularWeight: 357.4268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H24N4O3/c1-14(24)21-18-7-10-20-23(18)17-8-11-22(12-9-17)13-15-3-5-16(6-4-15)19(25)26-2/h3-7,10,17H,8-9,11-13H2,1-2H3,(H,21,24)/p+1