3-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]-1-methyl-imidazolidine-2,4-dione

Systemtic Name: 3-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]-1-methyl-imidazolidine-2,4-dione Openeye Name: 3-[4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-butyl]-1-methyl-imidazolidine-2,4-dione CAS Name: 3-[4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione IUPAC Name: 3-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione Traditional Name: 3-[4-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-4-keto-butyl]-1-methyl-hydantoin Formula: C21H29N4O4+ MolecularWeight: 401.47936

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=O)N(C1=O)CCCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CN1CC(=O)N(C1=O)CCCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H28N4O4/c1-22-15-20(27)25(21(22)28)7-2-3-19(26)24-10-8-23(9-11-24)14-16-4-5-18-17(13-16)6-12-29-18/h4-5,13H,2-3,6-12,14-15H2,1H3/p+1