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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-[(2-methoxyphenyl)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-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]benzofuran-2-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-hydroxy-1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-2-benzofuranyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-hydroxy-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-1-benzofuran-2-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-hydroxy-1-o-anisyl-piperidin-1-ium-4-yl)benzofuran-2-yl]methanone Formula: C31H33N2O4+ MolecularWeight: 497.60472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCC6=CC=CC=C6C5)O

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCC6=CC=CC=C6C5)O

InChI

InChI=1S/C31H32N2O4/c1-36-27-9-5-4-8-24(27)20-32-16-13-31(35,14-17-32)26-10-11-28-25(18-26)19-29(37-28)30(34)33-15-12-22-6-2-3-7-23(22)21-33/h2-11,18-19,35H,12-17,20-21H2,1H3/p+1