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

Systemtic Name: [3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C22H27BrN3O2+ MolecularWeight: 445.37268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]CCCN3C=CN=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]CCCN3C=CN=C3)OC

InChI

InChI=1S/C22H26BrN3O2/c1-17-4-6-18(7-5-17)15-28-22-20(23)12-19(13-21(22)27-2)14-24-8-3-10-26-11-9-25-16-26/h4-7,9,11-13,16,24H,3,8,10,14-15H2,1-2H3/p+1