[3,5-bis(bromanyl)-2-methoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [3,5-bis(bromanyl)-2-methoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: (3,5-dibromo-2-methoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: (3,5-dibromo-2-methoxyphenyl)methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (3,5-dibromo-2-methoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: (3,5-dibromo-2-methoxy-benzyl)-(3-imidazol-1-ylpropyl)ammonium Formula: C14H18Br2N3O+ MolecularWeight: 404.12022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C[NH2+]CCCN2C=CN=C2)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C[NH2+]CCCN2C=CN=C2)Br)Br

InChI

InChI=1S/C14H17Br2N3O/c1-20-14-11(7-12(15)8-13(14)16)9-17-3-2-5-19-6-4-18-10-19/h4,6-8,10,17H,2-3,5,9H2,1H3/p+1