ethyl (3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1,3-dimethyl-4-pyrazolyl)methyl]-3-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-m-anisyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H32N3O3+ MolecularWeight: 386.50778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CN(N=C2C)C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CN(N=C2C)C)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H31N3O3/c1-5-28-21(26)22(13-18-8-6-9-20(12-18)27-4)10-7-11-25(16-22)15-19-14-24(3)23-17(19)2/h6,8-9,12,14H,5,7,10-11,13,15-16H2,1-4H3/p+1/t22-/m0/s1