[3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium

Systemtic Name: [3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium Openeye Name: (4-benzyloxy-3,5-dibromo-phenyl)methyl-(2-hydroxy-1,1-dimethyl-ethyl)ammonium CAS Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-(1-hydroxy-2-methylpropan-2-yl)ammonium IUPAC Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-(1-hydroxy-2-methylpropan-2-yl)azanium Traditional Name: (4-benzoxy-3,5-dibromo-benzyl)-(2-hydroxy-1,1-dimethyl-ethyl)ammonium Formula: C18H22Br2NO2+ MolecularWeight: 444.18078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21Br2NO2/c1-18(2,12-22)21-10-14-8-15(19)17(16(20)9-14)23-11-13-6-4-3-5-7-13/h3-9,21-22H,10-12H2,1-2H3/p+1