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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=O)N1)CCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)C

Isomeric SMILES

CC1(C(=O)N(C(=O)N1)CCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)C

InChI

InChI=1S/C21H28N4O4/c1-21(2)19(27)25(20(28)22-21)7-5-18(26)24-10-8-23(9-11-24)14-15-3-4-17-16(13-15)6-12-29-17/h3-4,13H,5-12,14H2,1-2H3,(H,22,28)/p+1