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

Systemtic Name: (5-bromanyl-2-phenylmethoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: (2-benzyloxy-5-bromo-phenyl)methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: (5-bromo-2-phenylmethoxyphenyl)methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (5-bromo-2-phenylmethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: (2-benzoxy-5-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)Br)C[NH2+]CCCN3C=CN=C3

Isomeric SMILES

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

InChI

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