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

Systemtic Name: [(1S)-1-(4-tert-butylphenyl)-2-[(3-methyl-1-benzofuran-2-yl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-tert-butylphenyl)-2-[(3-methylbenzofuran-2-carbonyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-tert-butylphenyl)-2-[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-tert-butylphenyl)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-tert-butylphenyl)-2-[(3-methylbenzofuran-2-carbonyl)amino]ethyl]-dimethyl-ammonium Formula: C24H31N2O2+ MolecularWeight: 379.51514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NCC(C3=CC=C(C=C3)C(C)(C)C)[NH+](C)C

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC[C@H](C3=CC=C(C=C3)C(C)(C)C)[NH+](C)C

InChI

InChI=1S/C24H30N2O2/c1-16-19-9-7-8-10-21(19)28-22(16)23(27)25-15-20(26(5)6)17-11-13-18(14-12-17)24(2,3)4/h7-14,20H,15H2,1-6H3,(H,25,27)/p+1/t20-/m1/s1