[(S)-(5-bromanyl-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methyl]azanium

Systemtic Name: [(S)-(5-bromanyl-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methyl]azanium Openeye Name: [(S)-(5-bromobenzofuran-2-yl)-(2,4,6-trimethylphenyl)methyl]ammonium CAS Name: [(S)-(5-bromo-2-benzofuranyl)-(2,4,6-trimethylphenyl)methyl]ammonium IUPAC Name: [(S)-(5-bromo-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methyl]azanium Traditional Name: [(S)-(5-bromobenzofuran-2-yl)-mesityl-methyl]ammonium Formula: C18H19BrNO+ MolecularWeight: 345.25356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(C2=CC3=C(O2)C=CC(=C3)Br)[NH3+])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)[C@@H](C2=CC3=C(O2)C=CC(=C3)Br)[NH3+])C

InChI

InChI=1S/C18H18BrNO/c1-10-6-11(2)17(12(3)7-10)18(20)16-9-13-8-14(19)4-5-15(13)21-16/h4-9,18H,20H2,1-3H3/p+1/t18-/m1/s1