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

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(3-hydroxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-[(3-hydroxy-4-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-(3-hydroxy-4-methoxy-benzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H29ClNO4+ MolecularWeight: 418.93366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClNO4/c1-3-29-22(27)23(15-17-4-7-19(24)8-5-17)10-12-25(13-11-23)16-18-6-9-21(28-2)20(26)14-18/h4-9,14,26H,3,10-13,15-16H2,1-2H3/p+1