3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-[(1,3-dimethylpyrazol-4-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-[(1,3-dimethylpyrazol-4-yl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-[(1,3-dimethyl-4-pyrazolyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-2-benzofuranyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]methanone Formula: C29H33N4O3+ MolecularWeight: 485.59732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCC6=CC=CC=C6C5)O)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCC6=CC=CC=C6C5)O)C

InChI

InChI=1S/C29H32N4O3/c1-20-24(17-31(2)30-20)18-32-13-10-29(35,11-14-32)25-7-8-26-23(15-25)16-27(36-26)28(34)33-12-9-21-5-3-4-6-22(21)19-33/h3-8,15-17,35H,9-14,18-19H2,1-2H3/p+1