3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-[(5-methylfuran-2-yl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-[(5-methylfuran-2-yl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-hydroxy-1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]benzofuran-2-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-hydroxy-1-[(5-methyl-2-furanyl)methyl]-4-piperidin-1-iumyl]-2-benzofuranyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-hydroxy-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]-1-benzofuran-2-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-hydroxy-1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]benzofuran-2-yl]methanone Formula: C29H31N2O4+ MolecularWeight: 471.56744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCC6=CC=CC=C6C5)O

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCC6=CC=CC=C6C5)O

InChI

InChI=1S/C29H30N2O4/c1-20-6-8-25(34-20)19-30-14-11-29(33,12-15-30)24-7-9-26-23(16-24)17-27(35-26)28(32)31-13-10-21-4-2-3-5-22(21)18-31/h2-9,16-17,33H,10-15,18-19H2,1H3/p+1