5-[4-oxidanyl-1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: 5-[4-oxidanyl-1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[4-hydroxy-1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)benzofuran-2-carboxamide CAS Name: 5-[4-hydroxy-1-[(2S)-2-phenylpropyl]-4-piperidin-1-iumyl]-N-(2-pyridinylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[4-hydroxy-1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[4-hydroxy-1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)coumarilamide Formula: C29H32N3O3+ MolecularWeight: 470.58268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CC=CC=N4)O)C5=CC=CC=C5

Isomeric SMILES

C[C@H](C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CC=CC=N4)O)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O3/c1-21(22-7-3-2-4-8-22)20-32-15-12-29(34,13-16-32)24-10-11-26-23(17-24)18-27(35-26)28(33)31-19-25-9-5-6-14-30-25/h2-11,14,17-18,21,34H,12-13,15-16,19-20H2,1H3,(H,31,33)/p+1/t21-/m1/s1