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

Systemtic Name: (3-bromanyl-4,5-diethoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: (3-bromo-4,5-diethoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: (3-bromo-4,5-diethoxyphenyl)methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (3-bromo-4,5-diethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: (3-bromo-4,5-diethoxy-benzyl)-(3-imidazol-1-ylpropyl)ammonium Formula: C17H25BrN3O2+ MolecularWeight: 383.3033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24BrN3O2/c1-3-22-16-11-14(10-15(18)17(16)23-4-2)12-19-6-5-8-21-9-7-20-13-21/h7,9-11,13,19H,3-6,8,12H2,1-2H3/p+1