1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-fluoro-4-methoxy-phenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-fluoro-4-methoxy-benzyl)-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C27H30FN2O3+ MolecularWeight: 449.537103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3C4=CC(=CC=C4)OC)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3C4=CC(=CC=C4)OC)F

InChI

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