(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[3-(2-methylpropoxy)propyl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[3-(2-methylpropoxy)propyl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-(3-isobutoxypropyl)ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[3-(2-methylpropoxy)propyl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[3-(2-methylpropoxy)propyl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-(3-isobutoxypropyl)ammonium Formula: C15H25BrNO3+ MolecularWeight: 347.2679

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24BrNO3/c1-11(2)10-20-6-4-5-17-9-12-7-13(16)15(18)14(8-12)19-3/h7-8,11,17-18H,4-6,9-10H2,1-3H3/p+1