[(2S)-2-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)carbonylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)carbonylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[(5-ethoxy-3-methyl-benzofuran-2-carbonyl)amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[(5-ethoxy-3-methyl-2-benzofuranyl)-oxomethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[(5-ethoxy-3-methyl-benzofuran-2-carbonyl)amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)NC(C[NH+](C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)N[C@H](C[NH+](C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3/c1-5-26-17-11-12-20-18(13-17)15(2)21(27-20)22(25)23-19(14-24(3)4)16-9-7-6-8-10-16/h6-13,19H,5,14H2,1-4H3,(H,23,25)/p+1/t19-/m1/s1