N-[(1R)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-1-phenyl-propyl]ethanamide

Systemtic Name: N-[(1R)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-1-phenyl-propyl]ethanamide Openeye Name: N-[(1R)-3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-1-phenyl-propyl]acetamide CAS Name: N-[(1R)-3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxo-1-phenylpropyl]acetamide IUPAC Name: N-[(1R)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-1-phenylpropyl]acetamide Traditional Name: N-[(1R)-3-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-3-keto-1-phenyl-propyl]acetamide Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N[C@H](CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N3O3/c1-18(28)25-22(20-5-3-2-4-6-20)16-24(29)27-12-10-26(11-13-27)17-19-7-8-23-21(15-19)9-14-30-23/h2-8,15,22H,9-14,16-17H2,1H3,(H,25,28)/p+1/t22-/m1/s1