ethyl 4-[(3-methoxyphenyl)methyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1-isopropylpyrazol-4-yl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-methoxyphenyl)methyl]-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1-isopropylpyrazol-4-yl)methyl]-4-m-anisyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CN(N=C2)C(C)C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CN(N=C2)C(C)C)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C23H33N3O3/c1-5-29-22(27)23(14-19-7-6-8-21(13-19)28-4)9-11-25(12-10-23)16-20-15-24-26(17-20)18(2)3/h6-8,13,15,17-18H,5,9-12,14,16H2,1-4H3/p+1