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

Systemtic Name: [(1S)-2-[(3,6-dimethyl-1-benzofuran-2-yl)carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(3,6-dimethylbenzofuran-2-carbonyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(3,6-dimethyl-2-benzofuranyl)-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(3,6-dimethylbenzofuran-2-carbonyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(O2)C(=O)NCC(C3=CC=CC=C3)[NH+](C)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(O2)C(=O)NC[C@H](C3=CC=CC=C3)[NH+](C)C)C

InChI

InChI=1S/C21H24N2O2/c1-14-10-11-17-15(2)20(25-19(17)12-14)21(24)22-13-18(23(3)4)16-8-6-5-7-9-16/h5-12,18H,13H2,1-4H3,(H,22,24)/p+1/t18-/m1/s1