3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C21H25N3O3+2 MolecularWeight: 367.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH+](CC3)CN4C5=CC=CC=C5OC4=O

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH+](CC3)CN4C5=CC=CC=C5OC4=O

InChI

InChI=1S/C21H23N3O3/c25-21-24(18-3-1-2-4-20(18)27-21)15-23-10-8-22(9-11-23)14-16-5-6-19-17(13-16)7-12-26-19/h1-6,13H,7-12,14-15H2/p+2