[(2S)-2-[2-(6-ethyl-1-benzofuran-3-yl)ethanoylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[2-(6-ethyl-1-benzofuran-3-yl)ethanoylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[[2-(6-ethylbenzofuran-3-yl)acetyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[2-(6-ethyl-3-benzofuranyl)-1-oxoethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[[2-(6-ethyl-1-benzofuran-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[[2-(6-ethylbenzofuran-3-yl)acetyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)NC(C[NH+](C)C)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)N[C@H](C[NH+](C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2/c1-4-16-10-11-19-18(15-26-21(19)12-16)13-22(25)23-20(14-24(2)3)17-8-6-5-7-9-17/h5-12,15,20H,4,13-14H2,1-3H3,(H,23,25)/p+1/t20-/m1/s1