(2-bromophenyl)methyl-[(1R,2S)-2-oxidanylcyclohexyl]azanium

Systemtic Name: (2-bromophenyl)methyl-[(1R,2S)-2-oxidanylcyclohexyl]azanium Openeye Name: (2-bromophenyl)methyl-[(1R,2S)-2-hydroxycyclohexyl]ammonium CAS Name: (2-bromophenyl)methyl-[(1R,2S)-2-hydroxycyclohexyl]ammonium IUPAC Name: (2-bromophenyl)methyl-[(1R,2S)-2-hydroxycyclohexyl]azanium Traditional Name: (2-bromobenzyl)-[(1R,2S)-2-hydroxycyclohexyl]ammonium Formula: C13H19BrNO+ MolecularWeight: 285.20006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)[NH2+]CC2=CC=CC=C2Br)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)[NH2+]CC2=CC=CC=C2Br)O

InChI

InChI=1S/C13H18BrNO/c14-11-6-2-1-5-10(11)9-15-12-7-3-4-8-13(12)16/h1-2,5-6,12-13,15-16H,3-4,7-9H2/p+1/t12-,13+/m1/s1