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

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(1S,2R)-2-methylcyclohexyl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-[(1S,2R)-2-methylcyclohexyl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(1S,2R)-2-methylcyclohexyl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(1S,2R)-2-methylcyclohexyl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-[(1S,2R)-2-methylcyclohexyl]ammonium Formula: C15H23BrNO2+ MolecularWeight: 329.25262

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH2+]CC2=CC(=C(C(=C2)Br)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C15H22BrNO2/c1-10-5-3-4-6-13(10)17-9-11-7-12(16)15(18)14(8-11)19-2/h7-8,10,13,17-18H,3-6,9H2,1-2H3/p+1/t10-,13+/m1/s1