[(1S)-2-[(6-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-1-(4-tert-butylphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(6-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-1-(4-tert-butylphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(6-bromo-3-methyl-benzofuran-2-carbonyl)amino]-1-(4-tert-butylphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(6-bromo-3-methyl-2-benzofuranyl)-oxomethyl]amino]-1-(4-tert-butylphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(6-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-1-(4-tert-butylphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(6-bromo-3-methyl-benzofuran-2-carbonyl)amino]-1-(4-tert-butylphenyl)ethyl]-dimethyl-ammonium Formula: C24H30BrN2O2+ MolecularWeight: 458.4112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29BrN2O2/c1-15-19-12-11-18(25)13-21(19)29-22(15)23(28)26-14-20(27(5)6)16-7-9-17(10-8-16)24(2,3)4/h7-13,20H,14H2,1-6H3,(H,26,28)/p+1/t20-/m1/s1