[(1S)-1-(4-tert-butylphenyl)-2-[(3,5-dimethyl-1-benzofuran-2-yl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(4-tert-butylphenyl)-2-[(3,5-dimethyl-1-benzofuran-2-yl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-tert-butylphenyl)-2-[(3,5-dimethylbenzofuran-2-carbonyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-tert-butylphenyl)-2-[[(3,5-dimethyl-2-benzofuranyl)-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-tert-butylphenyl)-2-[(3,5-dimethyl-1-benzofuran-2-carbonyl)amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-tert-butylphenyl)-2-[(3,5-dimethylbenzofuran-2-carbonyl)amino]ethyl]-dimethyl-ammonium Formula: C25H33N2O2+ MolecularWeight: 393.54172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)NCC(C3=CC=C(C=C3)C(C)(C)C)[NH+](C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)NC[C@H](C3=CC=C(C=C3)C(C)(C)C)[NH+](C)C

InChI

InChI=1S/C25H32N2O2/c1-16-8-13-22-20(14-16)17(2)23(29-22)24(28)26-15-21(27(6)7)18-9-11-19(12-10-18)25(3,4)5/h8-14,21H,15H2,1-7H3,(H,26,28)/p+1/t21-/m1/s1