[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[(1S,2S)-2-methylcyclohexyl]azanium

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[(1S,2S)-2-methylcyclohexyl]azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[(1S,2S)-2-methylcyclohexyl]ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(1S,2S)-2-methylcyclohexyl]ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(1S,2S)-2-methylcyclohexyl]azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[(1S,2S)-2-methylcyclohexyl]ammonium Formula: C16H25BrNO+ MolecularWeight: 327.2798

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]C2CCCCC2C

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+][C@H]2CCCC[C@@H]2C

InChI

InChI=1S/C16H24BrNO/c1-3-14(13-10-12(17)8-9-16(13)19)18-15-7-5-4-6-11(15)2/h8-11,14-15,18-19H,3-7H2,1-2H3/p+1/t11-,14-,15-/m0/s1