ethyl 1-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-(3-chloro-4-hydroxy-5-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)Cl)O)OC)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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