(3-bromanyl-4,5-dimethoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: (3-bromanyl-4,5-dimethoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: (3-bromo-4,5-dimethoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: (3-bromo-4,5-dimethoxyphenyl)methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (3-bromo-4,5-dimethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: (3-bromo-4,5-dimethoxy-benzyl)-(3-imidazol-1-ylpropyl)ammonium Formula: C15H21BrN3O2+ MolecularWeight: 355.25014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrN3O2/c1-20-14-9-12(8-13(16)15(14)21-2)10-17-4-3-6-19-7-5-18-11-19/h5,7-9,11,17H,3-4,6,10H2,1-2H3/p+1