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

Systemtic Name: (3-bromanyl-4-ethoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: (3-bromo-4-ethoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: (3-bromo-4-ethoxyphenyl)methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (3-bromo-4-ethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: (3-bromo-4-ethoxy-benzyl)-(3-imidazol-1-ylpropyl)ammonium Formula: C15H21BrN3O+ MolecularWeight: 339.25074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH2+]CCCN2C=CN=C2)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH2+]CCCN2C=CN=C2)Br

InChI

InChI=1S/C15H20BrN3O/c1-2-20-15-5-4-13(10-14(15)16)11-17-6-3-8-19-9-7-18-12-19/h4-5,7,9-10,12,17H,2-3,6,8,11H2,1H3/p+1