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

Systemtic Name: N-[(2S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-phenyl-ethanamide Openeye Name: N-[(1S)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]-2-phenyl-acetamide CAS Name: N-[(2S)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide IUPAC Name: N-[(2S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide Traditional Name: N-[(1S)-1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]-2-phenyl-acetamide Formula: C26H34N3O3+ MolecularWeight: 436.56646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O3/c1-19(2)25(27-24(30)17-20-6-4-3-5-7-20)26(31)29-13-11-28(12-14-29)18-21-8-9-23-22(16-21)10-15-32-23/h3-9,16,19,25H,10-15,17-18H2,1-2H3,(H,27,30)/p+1/t25-/m0/s1