ethyl 1-[(3-methoxycarbonyl-4-oxidanyl-phenyl)methyl]-4-phenyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3-methoxycarbonyl-4-oxidanyl-phenyl)methyl]-4-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-hydroxy-3-methoxycarbonyl-phenyl)methyl]-4-phenyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-hydroxy-3-methoxycarbonylphenyl)methyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-hydroxy-3-methoxycarbonylphenyl)methyl]-4-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 1-(3-carbomethoxy-4-hydroxy-benzyl)-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H28NO5+ MolecularWeight: 398.47212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO5/c1-3-29-22(27)23(18-7-5-4-6-8-18)11-13-24(14-12-23)16-17-9-10-20(25)19(15-17)21(26)28-2/h4-10,15,25H,3,11-14,16H2,1-2H3/p+1