1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanone Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C26H30N3O3+ MolecularWeight: 432.5347

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@H]1CC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C26H29N3O3/c1-19(30)29-10-8-21-4-2-3-5-23(21)24(29)17-26(31)28-13-11-27(12-14-28)18-20-6-7-25-22(16-20)9-15-32-25/h2-8,10,16,24H,9,11-15,17-18H2,1H3/p+1/t24-/m1/s1