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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NCC(CC3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NC[C@H](CC3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C22H26N2O3/c1-15-19-13-18(26-4)10-11-20(19)27-21(15)22(25)23-14-17(24(2)3)12-16-8-6-5-7-9-16/h5-11,13,17H,12,14H2,1-4H3,(H,23,25)/p+1/t17-/m0/s1