2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(2,2-dimethylcoumaran-7-yl)oxy-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC=NC=C4)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC=NC=C4)C

InChI

InChI=1S/C22H27N3O3/c1-22(2)14-18-4-3-5-19(21(18)28-22)27-16-20(26)25-12-10-24(11-13-25)15-17-6-8-23-9-7-17/h3-9H,10-16H2,1-2H3/p+1