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

Systemtic Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(2R)-1-pyridin-3-ylpropan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(1R)-1-methyl-2-(3-pyridyl)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-methoxyphenyl)methyl]-1-[(2R)-1-(3-pyridinyl)propan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(2R)-1-pyridin-3-ylpropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 4-m-anisyl-1-[(1R)-1-methyl-2-(3-pyridyl)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O3/c1-4-29-23(27)24(17-20-7-5-9-22(16-20)28-3)10-13-26(14-11-24)19(2)15-21-8-6-12-25-18-21/h5-9,12,16,18-19H,4,10-11,13-15,17H2,1-3H3/p+1/t19-/m1/s1