(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-(3-imidazol-1-ylpropyl)ammonium Formula: C21H25BrN3O2+ MolecularWeight: 431.3461

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCCN2C=CN=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCCN2C=CN=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24BrN3O2/c1-26-20-13-18(14-23-8-5-10-25-11-9-24-16-25)12-19(22)21(20)27-15-17-6-3-2-4-7-17/h2-4,6-7,9,11-13,16,23H,5,8,10,14-15H2,1H3/p+1