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

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

Systemtic Name:ethyl 4-[(3-fluorophenyl)methyl]-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxylate
Openeye Name:ethyl 4-[(3-fluorophenyl)methyl]-1-[(3-hydroxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxylate
CAS Name:4-[(3-fluorophenyl)methyl]-1-[(3-hydroxy-4-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester
IUPAC Name:ethyl 4-[(3-fluorophenyl)methyl]-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate
Traditional Name:4-(3-fluorobenzyl)-1-(3-hydroxy-4-methoxy-benzyl)piperidin-1-ium-4-carboxylic acid ethyl ester
Formula: C23H29FNO4+
MolecularWeight: 402.479063
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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(=CC=C3)F


Isomeric SMILES

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


InChI

InChI=1S/C23H28FNO4/c1-3-29-22(27)23(15-17-5-4-6-19(24)13-17)9-11-25(12-10-23)16-18-7-8-21(28-2)20(26)14-18/h4-8,13-14,26H,3,9-12,15-16H2,1-2H3/p+1


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