(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(2R)-5-methylhexan-2-yl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(2R)-5-methylhexan-2-yl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-[(1R)-1,4-dimethylpentyl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(2R)-5-methylhexan-2-yl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(2R)-5-methylhexan-2-yl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-[(1R)-1,4-dimethylpentyl]ammonium Formula: C15H25BrNO2+ MolecularWeight: 331.2685

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)[NH2+]CC1=CC(=C(C(=C1)Br)O)OC

Isomeric SMILES

C[C@H](CCC(C)C)[NH2+]CC1=CC(=C(C(=C1)Br)O)OC

InChI

InChI=1S/C15H24BrNO2/c1-10(2)5-6-11(3)17-9-12-7-13(16)15(18)14(8-12)19-4/h7-8,10-11,17-18H,5-6,9H2,1-4H3/p+1/t11-/m1/s1