3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-[(3-methylthiophen-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-[(3-methylthiophen-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-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]benzofuran-2-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-hydroxy-1-[(3-methyl-2-thiophenyl)methyl]-4-piperidin-1-iumyl]-2-benzofuranyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-hydroxy-1-[(3-methylthiophen-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-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]benzofuran-2-yl]methanone Formula: C29H31N2O3S+ MolecularWeight: 487.63304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O3S/c1-20-9-15-35-27(20)19-30-13-10-29(33,11-14-30)24-6-7-25-23(16-24)17-26(34-25)28(32)31-12-8-21-4-2-3-5-22(21)18-31/h2-7,9,15-17,33H,8,10-14,18-19H2,1H3/p+1