(4-dimethylaminophenyl)methyl-[(2-fluorophenyl)methyl]-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-[(2-fluorophenyl)methyl]-(3-imidazol-1-ylpropyl)azanium Openeye Name: (4-dimethylaminophenyl)methyl-[(2-fluorophenyl)methyl]-(3-imidazol-1-ylpropyl)ammonium CAS Name: (4-dimethylaminophenyl)methyl-[(2-fluorophenyl)methyl]-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[(2-fluorophenyl)methyl]-(3-imidazol-1-ylpropyl)azanium Traditional Name: [4-(dimethylamino)benzyl]-(2-fluorobenzyl)-(3-imidazol-1-ylpropyl)ammonium Formula: C22H28FN4+ MolecularWeight: 367.482923

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C[NH+](CCCN2C=CN=C2)CC3=CC=CC=C3F

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C[NH+](CCCN2C=CN=C2)CC3=CC=CC=C3F

InChI

InChI=1S/C22H27FN4/c1-25(2)21-10-8-19(9-11-21)16-27(14-5-13-26-15-12-24-18-26)17-20-6-3-4-7-22(20)23/h3-4,6-12,15,18H,5,13-14,16-17H2,1-2H3/p+1