[(S)-(5-bromanylpyridin-3-yl)-(2,4-dimethylphenyl)methyl]azanium

Systemtic Name: [(S)-(5-bromanylpyridin-3-yl)-(2,4-dimethylphenyl)methyl]azanium Openeye Name: [(S)-(5-bromo-3-pyridyl)-(2,4-dimethylphenyl)methyl]ammonium CAS Name: [(S)-(5-bromo-3-pyridinyl)-(2,4-dimethylphenyl)methyl]ammonium IUPAC Name: [(S)-(5-bromopyridin-3-yl)-(2,4-dimethylphenyl)methyl]azanium Traditional Name: [(S)-(5-bromo-3-pyridyl)-(2,4-dimethylphenyl)methyl]ammonium Formula: C14H16BrN2+ MolecularWeight: 292.19424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC(=CN=C2)Br)[NH3+])C

Isomeric SMILES

CC1=CC(=C(C=C1)[C@@H](C2=CC(=CN=C2)Br)[NH3+])C

InChI

InChI=1S/C14H15BrN2/c1-9-3-4-13(10(2)5-9)14(16)11-6-12(15)8-17-7-11/h3-8,14H,16H2,1-2H3/p+1/t14-/m1/s1