2-fluoranyl-N1-[3-(3-methyl-1H-imidazol-3-ium-2-yl)propyl]benzene-1,4-diamine chloride hydrate

Systemtic Name: 2-fluoranyl-N1-[3-(3-methyl-1H-imidazol-3-ium-2-yl)propyl]benzene-1,4-diamine chloride hydrate Openeye Name: 2-fluoro-N1-[3-(3-methyl-1H-imidazol-3-ium-2-yl)propyl]benzene-1,4-diamine chloride hydrate CAS Name: 2-fluoro-N1-[3-(3-methyl-1H-imidazol-3-ium-2-yl)propyl]benzene-1,4-diamine chloride hydrate IUPAC Name: 2-fluoro-1-N-[3-(3-methyl-1H-imidazol-3-ium-2-yl)propyl]benzene-1,4-diamine chloride hydrate Traditional Name: (4-amino-2-fluoro-phenyl)-[3-(3-methyl-1H-imidazol-3-ium-2-yl)propyl]amine chloride hydrate Formula: C13H20ClFN4O MolecularWeight: 302.775503

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)CCCNC2=C(C=C(C=C2)N)F.O.[Cl-]

Isomeric SMILES

C[N+]1=C(NC=C1)CCCNC2=C(C=C(C=C2)N)F.O.[Cl-]

InChI

InChI=1S/C13H17FN4.ClH.H2O/c1-18-8-7-17-13(18)3-2-6-16-12-5-4-10(15)9-11(12)14;;/h4-5,7-9,16H,2-3,6,15H2,1H3;1H;1H2