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

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[3-(2-methylpropoxy)propyl]azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(3-isobutoxypropyl)ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[3-(2-methylpropoxy)propyl]ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[3-(2-methylpropoxy)propyl]azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(3-isobutoxypropyl)ammonium Formula: C16H27BrNO2+ MolecularWeight: 345.29508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26BrNO2/c1-4-15(14-10-13(17)6-7-16(14)19)18-8-5-9-20-11-12(2)3/h6-7,10,12,15,18-19H,4-5,8-9,11H2,1-3H3/p+1/t15-/m0/s1