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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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