(E)-1-(4-acetamido-3-bromanyl-phenyl)ethylidene-(4,5-dihydro-1H-imidazol-2-ylamino)azanium

Systemtic Name: (E)-1-(4-acetamido-3-bromanyl-phenyl)ethylidene-(4,5-dihydro-1H-imidazol-2-ylamino)azanium Openeye Name: (E)-1-(4-acetamido-3-bromo-phenyl)ethylidene-(4,5-dihydro-1H-imidazol-2-ylamino)ammonium CAS Name: (E)-1-(4-acetamido-3-bromophenyl)ethylidene-(4,5-dihydro-1H-imidazol-2-ylamino)ammonium IUPAC Name: (E)-1-(4-acetamido-3-bromophenyl)ethylidene-(4,5-dihydro-1H-imidazol-2-ylamino)azanium Traditional Name: (E)-1-(4-acetamido-3-bromo-phenyl)ethylidene-(2-imidazolin-2-ylamino)ammonium Formula: C13H17BrN5O+ MolecularWeight: 339.21098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[NH+]NC1=NCCN1)C2=CC(=C(C=C2)NC(=O)C)Br

Isomeric SMILES

C/C(=[NH+]\NC1=NCCN1)/C2=CC(=C(C=C2)NC(=O)C)Br

InChI

InChI=1S/C13H16BrN5O/c1-8(18-19-13-15-5-6-16-13)10-3-4-12(11(14)7-10)17-9(2)20/h3-4,7H,5-6H2,1-2H3,(H,17,20)(H2,15,16,19)/p+1/b18-8+