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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-[(3-methylphenyl)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-(m-tolylmethyl)piperidin-1-ium-4-yl]benzofuran-2-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-hydroxy-1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]-2-benzofuranyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-hydroxy-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-1-benzofuran-2-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-hydroxy-1-(3-methylbenzyl)piperidin-1-ium-4-yl]benzofuran-2-yl]methanone Formula: C31H33N2O3+ MolecularWeight: 481.60532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCC6=CC=CC=C6C5)O

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCC6=CC=CC=C6C5)O

InChI

InChI=1S/C31H32N2O3/c1-22-5-4-6-23(17-22)20-32-15-12-31(35,13-16-32)27-9-10-28-26(18-27)19-29(36-28)30(34)33-14-11-24-7-2-3-8-25(24)21-33/h2-10,17-19,35H,11-16,20-21H2,1H3/p+1