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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CN(N=C2C)C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CN(N=C2C)C)CC3=CC(=CC=C3)OC

InChI

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