ethyl 4-[(2-chlorophenyl)methyl]-1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(2-chlorophenyl)methyl]-1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(2-chlorophenyl)methyl]-1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(2-chlorophenyl)methyl]-1-[(3-hydroxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chlorophenyl)methyl]-1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(2-chlorobenzyl)-1-(3-hydroxybenzyl)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=C2)O)CC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=CC=C2)O)CC3=CC=CC=C3Cl

InChI

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