[3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-(2-methoxyethyl)azanium

Systemtic Name: [3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-(2-methoxyethyl)azanium Openeye Name: (4-benzyloxy-3,5-dibromo-phenyl)methyl-(2-methoxyethyl)ammonium CAS Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-(2-methoxyethyl)ammonium IUPAC Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-(2-methoxyethyl)azanium Traditional Name: (4-benzoxy-3,5-dibromo-benzyl)-(2-methoxyethyl)ammonium Formula: C17H20Br2NO2+ MolecularWeight: 430.1542

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)Br

Isomeric SMILES

COCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)Br

InChI

InChI=1S/C17H19Br2NO2/c1-21-8-7-20-11-14-9-15(18)17(16(19)10-14)22-12-13-5-3-2-4-6-13/h2-6,9-10,20H,7-8,11-12H2,1H3/p+1