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

Systemtic Name: 3-imidazol-1-ylpropyl-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: 3-imidazol-1-ylpropyl-[[3-methoxy-4-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: 3-(1-imidazolyl)propyl-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 3-imidazol-1-ylpropyl-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: 3-imidazol-1-ylpropyl-[3-methoxy-4-(4-methylbenzyl)oxy-benzyl]ammonium Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2/c1-18-4-6-19(7-5-18)16-27-21-9-8-20(14-22(21)26-2)15-23-10-3-12-25-13-11-24-17-25/h4-9,11,13-14,17,23H,3,10,12,15-16H2,1-2H3/p+1