[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [(2S)-2,3-dihydrobenzofuran-2-yl]-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [(2S)-2,3-dihydrobenzofuran-2-yl]-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [(2S)-coumaran-2-yl]-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C22H25N2O3+ MolecularWeight: 365.4455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4CC5=CC=CC=C5O4

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)[C@@H]4CC5=CC=CC=C5O4

InChI

InChI=1S/C22H24N2O3/c25-22(21-14-17-3-1-2-4-20(17)27-21)24-10-8-23(9-11-24)15-16-5-6-19-18(13-16)7-12-26-19/h1-6,13,21H,7-12,14-15H2/p+1/t21-/m0/s1