[3-[[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]azaniumyl]-2,2-dimethyl-propyl]-dimethyl-azanium

Systemtic Name: [3-[[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]azaniumyl]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-[[(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]ammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[[(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]ammonio]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-[[(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]azaniumyl]-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-[[(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]ammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C16H29BrN2O+2 MolecularWeight: 345.31826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]CC(C)(C)C[NH+](C)C

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+]CC(C)(C)C[NH+](C)C

InChI

InChI=1S/C16H27BrN2O/c1-6-14(13-9-12(17)7-8-15(13)20)18-10-16(2,3)11-19(4)5/h7-9,14,18,20H,6,10-11H2,1-5H3/p+2/t14-/m0/s1