[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[(2R)-6-methylheptan-2-yl]azanium

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[(2R)-6-methylheptan-2-yl]azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[(1R)-1,5-dimethylhexyl]ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(2R)-6-methylheptan-2-yl]ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(2R)-6-methylheptan-2-yl]azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[(1R)-1,5-dimethylhexyl]ammonium Formula: C17H29BrNO+ MolecularWeight: 343.32226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28BrNO/c1-5-16(15-11-14(18)9-10-17(15)20)19-13(4)8-6-7-12(2)3/h9-13,16,19-20H,5-8H2,1-4H3/p+1/t13-,16+/m1/s1