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

Systemtic Name: 3-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]imidazolidine-2,4-dione Openeye Name: 3-[4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-butyl]imidazolidine-2,4-dione CAS Name: 3-[4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-4-oxobutyl]imidazolidine-2,4-dione IUPAC Name: 3-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxobutyl]imidazolidine-2,4-dione Traditional Name: 3-[4-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-4-keto-butyl]hydantoin Formula: C20H27N4O4+ MolecularWeight: 387.45278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCCN4C(=O)CNC4=O

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCCN4C(=O)CNC4=O

InChI

InChI=1S/C20H26N4O4/c25-18(2-1-6-24-19(26)13-21-20(24)27)23-9-7-22(8-10-23)14-15-3-4-17-16(12-15)5-11-28-17/h3-4,12H,1-2,5-11,13-14H2,(H,21,27)/p+1