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

Systemtic Name: (3-bromanyl-5-ethoxy-4-methoxy-phenyl)methyl-(2-methylpropyl)azanium Openeye Name: (3-bromo-5-ethoxy-4-methoxy-phenyl)methyl-isobutyl-ammonium CAS Name: (3-bromo-5-ethoxy-4-methoxyphenyl)methyl-(2-methylpropyl)ammonium IUPAC Name: (3-bromo-5-ethoxy-4-methoxyphenyl)methyl-(2-methylpropyl)azanium Traditional Name: (3-bromo-5-ethoxy-4-methoxy-benzyl)-isobutyl-ammonium Formula: C14H23BrNO2+ MolecularWeight: 317.24192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC(C)C)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC(C)C)Br)OC

InChI

InChI=1S/C14H22BrNO2/c1-5-18-13-7-11(9-16-8-10(2)3)6-12(15)14(13)17-4/h6-7,10,16H,5,8-9H2,1-4H3/p+1