[(1S)-1-(4-bromophenyl)propyl]-[(1S,2S)-2-methylcyclohexyl]azanium

Systemtic Name: [(1S)-1-(4-bromophenyl)propyl]-[(1S,2S)-2-methylcyclohexyl]azanium Openeye Name: [(1S)-1-(4-bromophenyl)propyl]-[(1S,2S)-2-methylcyclohexyl]ammonium CAS Name: [(1S)-1-(4-bromophenyl)propyl]-[(1S,2S)-2-methylcyclohexyl]ammonium IUPAC Name: [(1S)-1-(4-bromophenyl)propyl]-[(1S,2S)-2-methylcyclohexyl]azanium Traditional Name: [(1S)-1-(4-bromophenyl)propyl]-[(1S,2S)-2-methylcyclohexyl]ammonium Formula: C16H25BrN+ MolecularWeight: 311.2804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24BrN/c1-3-15(13-8-10-14(17)11-9-13)18-16-7-5-4-6-12(16)2/h8-12,15-16,18H,3-7H2,1-2H3/p+1/t12-,15-,16-/m0/s1