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

Systemtic Name: [3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-(2-methylpropyl)azanium Openeye Name: (4-benzyloxy-3,5-dibromo-phenyl)methyl-isobutyl-ammonium CAS Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-(2-methylpropyl)ammonium IUPAC Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-(2-methylpropyl)azanium Traditional Name: (4-benzoxy-3,5-dibromo-benzyl)-isobutyl-ammonium Formula: C18H22Br2NO+ MolecularWeight: 428.18138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21Br2NO/c1-13(2)10-21-11-15-8-16(19)18(17(20)9-15)22-12-14-6-4-3-5-7-14/h3-9,13,21H,10-12H2,1-2H3/p+1