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

Systemtic Name: 2-[4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-1-oxoethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-(2,2-dimethylcoumaran-7-yl)oxyacetyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C22H32N3O4+ MolecularWeight: 402.50718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4)C

InChI

InChI=1S/C22H31N3O4/c1-22(2)14-17-6-5-7-18(21(17)29-22)28-16-20(27)25-12-10-23(11-13-25)15-19(26)24-8-3-4-9-24/h5-7H,3-4,8-16H2,1-2H3/p+1