(2-bromanyl-4-butoxy-5-methoxy-phenyl)methyl-(2-methylpropyl)azanium

Systemtic Name: (2-bromanyl-4-butoxy-5-methoxy-phenyl)methyl-(2-methylpropyl)azanium Openeye Name: (2-bromo-4-butoxy-5-methoxy-phenyl)methyl-isobutyl-ammonium CAS Name: (2-bromo-4-butoxy-5-methoxyphenyl)methyl-(2-methylpropyl)ammonium IUPAC Name: (2-bromo-4-butoxy-5-methoxyphenyl)methyl-(2-methylpropyl)azanium Traditional Name: (2-bromo-4-butoxy-5-methoxy-benzyl)-isobutyl-ammonium Formula: C16H27BrNO2+ MolecularWeight: 345.29508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1)Br)C[NH2+]CC(C)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1)Br)C[NH2+]CC(C)C)OC

InChI

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