[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[(2R)-2,3-dihydrobenzofuran-2-yl]methanone CAS Name: [(2R)-2,3-dihydrobenzofuran-2-yl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[(2R)-coumaran-2-yl]methanone Formula: C20H23N2O2+ MolecularWeight: 323.40882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3CC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)[C@H]3CC4=CC=CC=C4O3

InChI

InChI=1S/C20H22N2O2/c23-20(19-14-17-8-4-5-9-18(17)24-19)22-12-10-21(11-13-22)15-16-6-2-1-3-7-16/h1-9,19H,10-15H2/p+1/t19-/m1/s1