[(2S)-1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]-4-methyl-pentan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]-4-methyl-pentan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-[[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]methyl]-3-methyl-butyl]-dimethyl-ammonium CAS Name: [(2S)-1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-4-methylpentan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-4-methylpentan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-[[(3-bromo-4-hydroxy-5-methoxy-benzyl)amino]methyl]-3-methyl-butyl]-dimethyl-ammonium Formula: C16H28BrN2O2+ MolecularWeight: 360.30972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNCC1=CC(=C(C(=C1)Br)O)OC)[NH+](C)C

Isomeric SMILES

CC(C)C[C@@H](CNCC1=CC(=C(C(=C1)Br)O)OC)[NH+](C)C

InChI

InChI=1S/C16H27BrN2O2/c1-11(2)6-13(19(3)4)10-18-9-12-7-14(17)16(20)15(8-12)21-5/h7-8,11,13,18,20H,6,9-10H2,1-5H3/p+1/t13-/m0/s1