(3-bromanyl-4-phenylmethoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: (3-bromanyl-4-phenylmethoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: (4-benzyloxy-3-bromo-phenyl)methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: (3-bromo-4-phenylmethoxyphenyl)methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (3-bromo-4-phenylmethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: (4-benzoxy-3-bromo-benzyl)-(3-imidazol-1-ylpropyl)ammonium Formula: C20H23BrN3O+ MolecularWeight: 401.32012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C[NH2+]CCCN3C=CN=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C[NH2+]CCCN3C=CN=C3)Br

InChI

InChI=1S/C20H22BrN3O/c21-19-13-18(14-22-9-4-11-24-12-10-23-16-24)7-8-20(19)25-15-17-5-2-1-3-6-17/h1-3,5-8,10,12-13,16,22H,4,9,11,14-15H2/p+1