(2R)-N-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-N-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-N-cyclopropyl-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-2-phenyl-acetamide CAS Name: (2R)-N-cyclopropyl-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-2-phenylacetamide IUPAC Name: (2R)-N-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-2-phenylacetamide Traditional Name: (2R)-2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopropyl-2-phenyl-acetamide Formula: C24H31N3O2+2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C24H29N3O2/c28-24(25-21-7-8-21)23(19-4-2-1-3-5-19)27-13-11-26(12-14-27)17-18-6-9-22-20(16-18)10-15-29-22/h1-6,9,16,21,23H,7-8,10-15,17H2,(H,25,28)/p+2/t23-/m1/s1