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

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(2S)-2-ethylhexyl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-[(2S)-2-ethylhexyl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(2S)-2-ethylhexyl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(2S)-2-ethylhexyl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-[(2S)-2-ethylhexyl]ammonium Formula: C16H27BrNO2+ MolecularWeight: 345.29508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26BrNO2/c1-4-6-7-12(5-2)10-18-11-13-8-14(17)16(19)15(9-13)20-3/h8-9,12,18-19H,4-7,10-11H2,1-3H3/p+1/t12-/m0/s1