N-cyclopropyl-N-[(1S)-1-[1-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]furan-2-carboxamide

Systemtic Name: N-cyclopropyl-N-[(1S)-1-[1-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]furan-2-carboxamide Openeye Name: N-cyclopropyl-N-[(1S)-1-[1-[(4-fluoro-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]furan-2-carboxamide CAS Name: N-cyclopropyl-N-[(1S)-1-[1-[(4-fluoro-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-2-phenylethyl]-2-furancarboxamide IUPAC Name: N-cyclopropyl-N-[(1S)-1-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenylethyl]furan-2-carboxamide Traditional Name: N-cyclopropyl-N-[(1S)-1-[1-(4-fluoro-3-methoxy-benzyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-2-furamide Formula: C29H34FN2O3+ MolecularWeight: 477.590263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(CC3=CC=CC=C3)N(C4CC4)C(=O)C5=CC=CO5)F

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)[C@H](CC3=CC=CC=C3)N(C4CC4)C(=O)C5=CC=CO5)F

InChI

InChI=1S/C29H33FN2O3/c1-34-28-19-22(9-12-25(28)30)20-31-15-13-23(14-16-31)26(18-21-6-3-2-4-7-21)32(24-10-11-24)29(33)27-8-5-17-35-27/h2-9,12,17,19,23-24,26H,10-11,13-16,18,20H2,1H3/p+1/t26-/m0/s1