[(S)-(5-bromanyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [(S)-(5-bromanyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [(S)-(5-bromobenzofuran-2-yl)-(4-isopropylphenyl)methyl]ammonium CAS Name: [(S)-(5-bromo-2-benzofuranyl)-(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [(S)-(5-bromo-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [(S)-(5-bromobenzofuran-2-yl)-p-cumenyl-methyl]ammonium Formula: C18H19BrNO+ MolecularWeight: 345.25356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO/c1-11(2)12-3-5-13(6-4-12)18(20)17-10-14-9-15(19)7-8-16(14)21-17/h3-11,18H,20H2,1-2H3/p+1/t18-/m0/s1