ethyl 4-[(3-methoxyphenyl)methyl]-1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-methoxyphenyl)methyl]-1-[(2R)-4-(1-pyrazolyl)butan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 4-m-anisyl-1-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]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)C(C)CCN2C=CC=N2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)[C@H](C)CCN2C=CC=N2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C23H33N3O3/c1-4-29-22(27)23(18-20-7-5-8-21(17-20)28-3)10-15-25(16-11-23)19(2)9-14-26-13-6-12-24-26/h5-8,12-13,17,19H,4,9-11,14-16,18H2,1-3H3/p+1/t19-/m1/s1