ethyl 1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C26H32N3O2+ MolecularWeight: 418.55118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CN(N=C2C3=CC=CC=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CN(N=C2C3=CC=CC=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2/c1-3-31-25(30)26(18-21-10-6-4-7-11-21)14-16-29(17-15-26)20-23-19-28(2)27-24(23)22-12-8-5-9-13-22/h4-13,19H,3,14-18,20H2,1-2H3/p+1