(5-bromanyl-2-methoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-(3-imidazol-1-ylpropyl)ammonium Formula: C14H19BrN3O+ MolecularWeight: 325.22416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH2+]CCCN2C=CN=C2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH2+]CCCN2C=CN=C2

InChI

InChI=1S/C14H18BrN3O/c1-19-14-4-3-13(15)9-12(14)10-16-5-2-7-18-8-6-17-11-18/h3-4,6,8-9,11,16H,2,5,7,10H2,1H3/p+1