2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]benzene-1,4-diamine chloride

Systemtic Name: 2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]benzene-1,4-diamine chloride Openeye Name: 2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]benzene-1,4-diamine chloride CAS Name: 2-[3-(3-methyl-1-imidazol-3-iumyl)propoxy]benzene-1,4-diamine chloride IUPAC Name: 2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]benzene-1,4-diamine chloride Traditional Name: [4-amino-2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]phenyl]amine chloride Formula: C13H19ClN4O MolecularWeight: 282.76916

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCCOC2=C(C=CC(=C2)N)N.[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCCOC2=C(C=CC(=C2)N)N.[Cl-]

InChI

InChI=1S/C13H19N4O.ClH/c1-16-6-7-17(10-16)5-2-8-18-13-9-11(14)3-4-12(13)15;/h3-4,6-7,9-10H,2,5,8,14-15H2,1H3;1H/q+1;/p-1