2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(6,7-dimethylbenzofuran-3-yl)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(6,7-dimethyl-3-benzofuranyl)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(6,7-dimethylbenzofuran-3-yl)-1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]ethanone Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4)C

InChI

InChI=1S/C22H29N3O3/c1-16-5-6-19-18(15-28-22(19)17(16)2)13-20(26)25-11-9-23(10-12-25)14-21(27)24-7-3-4-8-24/h5-6,15H,3-4,7-14H2,1-2H3/p+1