[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(7-methyloctyl)azanium

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(7-methyloctyl)azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(7-methyloctyl)ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-(7-methyloctyl)ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-(7-methyloctyl)azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(7-methyloctyl)ammonium Formula: C18H31BrNO+ MolecularWeight: 357.34884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30BrNO/c1-4-17(16-13-15(19)10-11-18(16)21)20-12-8-6-5-7-9-14(2)3/h10-11,13-14,17,20-21H,4-9,12H2,1-3H3/p+1/t17-/m0/s1