(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(1S,2S,3S)-2,3-dimethylcyclohexyl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(1S,2S,3S)-2,3-dimethylcyclohexyl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-[(1S,2S,3S)-2,3-dimethylcyclohexyl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(1S,2S,3S)-2,3-dimethylcyclohexyl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(1S,2S,3S)-2,3-dimethylcyclohexyl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-[(1S,2S,3S)-2,3-dimethylcyclohexyl]ammonium Formula: C16H25BrNO2+ MolecularWeight: 343.2792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)[NH2+]CC2=CC(=C(C(=C2)Br)O)OC

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@H]1C)[NH2+]CC2=CC(=C(C(=C2)Br)O)OC

InChI

InChI=1S/C16H24BrNO2/c1-10-5-4-6-14(11(10)2)18-9-12-7-13(17)16(19)15(8-12)20-3/h7-8,10-11,14,18-19H,4-6,9H2,1-3H3/p+1/t10-,11-,14-/m0/s1