[5-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-piperidin-1-yl-methanone

Systemtic Name: [5-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-piperidin-1-yl-methanone Openeye Name: [5-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-(1-piperidyl)methanone CAS Name: [5-[1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-hydroxy-4-piperidin-1-iumyl]-2-benzofuranyl]-(1-piperidinyl)methanone IUPAC Name: [5-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone Traditional Name: [5-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-piperidino-methanone Formula: C26H35N2O3+ MolecularWeight: 423.5677

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5CCC=CC5)O

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)C[C@H]5CCC=CC5)O

InChI

InChI=1S/C26H34N2O3/c29-25(28-13-5-2-6-14-28)24-18-21-17-22(9-10-23(21)31-24)26(30)11-15-27(16-12-26)19-20-7-3-1-4-8-20/h1,3,9-10,17-18,20,30H,2,4-8,11-16,19H2/p+1/t20-/m1/s1