ethyl (3S)-1-[(4-acetamidophenyl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-acetamidophenyl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-acetamidophenyl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(4-acetamidophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-acetamidophenyl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(4-acetamidobenzyl)-3-m-anisyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C25H33N2O4+ MolecularWeight: 425.54052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C25H32N2O4/c1-4-31-24(29)25(16-21-7-5-8-23(15-21)30-3)13-6-14-27(18-25)17-20-9-11-22(12-10-20)26-19(2)28/h5,7-12,15H,4,6,13-14,16-18H2,1-3H3,(H,26,28)/p+1/t25-/m0/s1