[5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [5-bromo-2-(p-tolylmethoxy)phenyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [5-bromo-2-(4-methylbenzyl)oxy-benzyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C21H25BrN3O+ MolecularWeight: 415.3467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C[NH2+]CCCN3C=CN=C3

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C[NH2+]CCCN3C=CN=C3

InChI

InChI=1S/C21H24BrN3O/c1-17-3-5-18(6-4-17)15-26-21-8-7-20(22)13-19(21)14-23-9-2-11-25-12-10-24-16-25/h3-8,10,12-13,16,23H,2,9,11,14-15H2,1H3/p+1