ethyl 4-[(4-chlorophenyl)methyl]-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-[(2-hydroxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-salicyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H27ClNO3+ MolecularWeight: 388.90768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC=C2O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC=C2O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClNO3/c1-2-27-21(26)22(15-17-7-9-19(23)10-8-17)11-13-24(14-12-22)16-18-5-3-4-6-20(18)25/h3-10,25H,2,11-16H2,1H3/p+1