2-[4-[(3,5-dimethyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[(3,5-dimethyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(3,5-dimethylbenzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[(3,5-dimethyl-2-benzofuranyl)-oxomethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(3,5-dimethyl-1-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-(3,5-dimethylbenzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CC(=O)NC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CC(=O)NC(C)C

InChI

InChI=1S/C20H27N3O3/c1-13(2)21-18(24)12-22-7-9-23(10-8-22)20(25)19-15(4)16-11-14(3)5-6-17(16)26-19/h5-6,11,13H,7-10,12H2,1-4H3,(H,21,24)/p+1