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

Systemtic Name: 1-[(4-fluoranyl-3-methoxy-phenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-fluoro-3-methoxy-phenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-fluoro-3-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-fluoro-3-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-fluoro-3-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=CC(=C1)C2=CC=CC=C2NC(=O)C3CC[NH+](CC3)CC4=CC(=C(C=C4)F)OC

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC=CC=C2NC(=O)C3CC[NH+](CC3)CC4=CC(=C(C=C4)F)OC

InChI

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