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

Systemtic Name: [3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-(3-methoxypropyl)azanium Openeye Name: (4-benzyloxy-3,5-dibromo-phenyl)methyl-(3-methoxypropyl)ammonium CAS Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-(3-methoxypropyl)ammonium IUPAC Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-(3-methoxypropyl)azanium Traditional Name: (4-benzoxy-3,5-dibromo-benzyl)-(3-methoxypropyl)ammonium Formula: C18H22Br2NO2+ MolecularWeight: 444.18078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21Br2NO2/c1-22-9-5-8-21-12-15-10-16(19)18(17(20)11-15)23-13-14-6-3-2-4-7-14/h2-4,6-7,10-11,21H,5,8-9,12-13H2,1H3/p+1