[3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: (4-benzyloxy-3,5-dibromo-phenyl)methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: (4-benzoxy-3,5-dibromo-benzyl)-(3-imidazol-1-ylpropyl)ammonium Formula: C20H22Br2N3O+ MolecularWeight: 480.21618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]CCCN3C=CN=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]CCCN3C=CN=C3)Br

InChI

InChI=1S/C20H21Br2N3O/c21-18-11-17(13-23-7-4-9-25-10-8-24-15-25)12-19(22)20(18)26-14-16-5-2-1-3-6-16/h1-3,5-6,8,10-12,15,23H,4,7,9,13-14H2/p+1