[5-[1-(furan-3-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-[(4S)-4-phenylazepan-1-yl]methanone

Systemtic Name: [5-[1-(furan-3-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-[(4S)-4-phenylazepan-1-yl]methanone Openeye Name: [5-[1-(3-furylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-[(4S)-4-phenylazepan-1-yl]methanone CAS Name: [5-[1-(3-furanylmethyl)-4-hydroxy-4-piperidin-1-iumyl]-2-benzofuranyl]-[(4S)-4-phenyl-1-azepanyl]methanone IUPAC Name: [5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-yl]-[(4S)-4-phenylazepan-1-yl]methanone Traditional Name: [5-[1-(3-furfuryl)-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-[(4S)-4-phenylazepan-1-yl]methanone Formula: C31H35N2O4+ MolecularWeight: 499.6206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=COC=C5)O)C6=CC=CC=C6

Isomeric SMILES

C1C[C@@H](CCN(C1)C(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=COC=C5)O)C6=CC=CC=C6

InChI

InChI=1S/C31H34N2O4/c34-30(33-14-4-7-25(10-15-33)24-5-2-1-3-6-24)29-20-26-19-27(8-9-28(26)37-29)31(35)12-16-32(17-13-31)21-23-11-18-36-22-23/h1-3,5-6,8-9,11,18-20,22,25,35H,4,7,10,12-17,21H2/p+1/t25-/m0/s1