1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-ethoxy-4-hydroxy-phenyl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-fluorophenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-ethoxy-4-hydroxy-benzyl)-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C27H30FN2O3+ MolecularWeight: 449.537103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F)O

InChI

InChI=1S/C27H29FN2O3/c1-2-33-26-15-19(9-10-25(26)31)18-30-13-11-20(12-14-30)27(32)29-24-8-4-6-22(17-24)21-5-3-7-23(28)16-21/h3-10,15-17,20,31H,2,11-14,18H2,1H3,(H,29,32)/p+1