[5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-piperidin-1-yl-methanone

Systemtic Name: [5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-piperidin-1-yl-methanone Openeye Name: [5-[4-hydroxy-1-[(3R)-3-(5-methyl-2-furyl)butyl]piperidin-1-ium-4-yl]benzofuran-2-yl]-(1-piperidyl)methanone CAS Name: [5-[4-hydroxy-1-[(3R)-3-(5-methyl-2-furanyl)butyl]-4-piperidin-1-iumyl]-2-benzofuranyl]-(1-piperidinyl)methanone IUPAC Name: [5-[4-hydroxy-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone Traditional Name: [5-[4-hydroxy-1-[(3R)-3-(5-methyl-2-furyl)butyl]piperidin-1-ium-4-yl]benzofuran-2-yl]-piperidino-methanone Formula: C28H37N2O4+ MolecularWeight: 465.60438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C)CC[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCCCC5)O

Isomeric SMILES

CC1=CC=C(O1)[C@H](C)CC[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCCCC5)O

InChI

InChI=1S/C28H36N2O4/c1-20(24-8-6-21(2)33-24)10-15-29-16-11-28(32,12-17-29)23-7-9-25-22(18-23)19-26(34-25)27(31)30-13-4-3-5-14-30/h6-9,18-20,32H,3-5,10-17H2,1-2H3/p+1/t20-/m1/s1