[2,4-bis(fluoranyl)phenyl]methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [2,4-bis(fluoranyl)phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: (2,4-difluorophenyl)methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: (2,4-difluorophenyl)methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (2,4-difluorophenyl)methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: (2,4-difluorobenzyl)-(3-imidazol-1-ylpropyl)ammonium Formula: C13H16F2N3+ MolecularWeight: 252.283046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)F)C[NH2+]CCCN2C=CN=C2

Isomeric SMILES

C1=CC(=C(C=C1F)F)C[NH2+]CCCN2C=CN=C2

InChI

InChI=1S/C13H15F2N3/c14-12-3-2-11(13(15)8-12)9-16-4-1-6-18-7-5-17-10-18/h2-3,5,7-8,10,16H,1,4,6,9H2/p+1