ethyl 1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-(2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H30NO4+ MolecularWeight: 384.4886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4/c1-3-28-22(26)23(16-18-8-5-4-6-9-18)12-14-24(15-13-23)17-19-10-7-11-20(27-2)21(19)25/h4-11,25H,3,12-17H2,1-2H3/p+1