(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(4-oxidanylcyclohexyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(4-oxidanylcyclohexyl)azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-(4-hydroxycyclohexyl)ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(4-hydroxycyclohexyl)ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(4-hydroxycyclohexyl)azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-(4-hydroxycyclohexyl)ammonium Formula: C14H21BrNO3+ MolecularWeight: 331.22544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CCC(CC2)O)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2CCC(CC2)O)Br)O

InChI

InChI=1S/C14H20BrNO3/c1-19-13-7-9(6-12(15)14(13)18)8-16-10-2-4-11(17)5-3-10/h6-7,10-11,16-18H,2-5,8H2,1H3/p+1