ethyl 4-[(3-methoxyphenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-methoxyphenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-m-anisyl-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=NN2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=NN2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H27N3O3/c1-3-26-19(24)20(14-16-5-4-6-18(13-16)25-2)8-11-23(12-9-20)15-17-7-10-21-22-17/h4-7,10,13H,3,8-9,11-12,14-15H2,1-2H3,(H,21,22)/p+1