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

Systemtic Name: 3-[[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]ammonio]propyl-dimethyl-ammonium Formula: C14H25BrN2O+2 MolecularWeight: 317.2651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23BrN2O/c1-4-13(16-8-5-9-17(2)3)12-10-11(15)6-7-14(12)18/h6-7,10,13,16,18H,4-5,8-9H2,1-3H3/p+2/t13-/m0/s1