N1-methyl-4-[[2-(3-methylimidazol-3-ium-1-yl)ethylamino]methyl]benzene-1,2-diamine chloride

Systemtic Name: N1-methyl-4-[[2-(3-methylimidazol-3-ium-1-yl)ethylamino]methyl]benzene-1,2-diamine chloride Openeye Name: N1-methyl-4-[[2-(3-methylimidazol-3-ium-1-yl)ethylamino]methyl]benzene-1,2-diamine chloride CAS Name: N1-methyl-4-[[2-(3-methyl-1-imidazol-3-iumyl)ethylamino]methyl]benzene-1,2-diamine chloride IUPAC Name: 1-N-methyl-4-[[2-(3-methylimidazol-3-ium-1-yl)ethylamino]methyl]benzene-1,2-diamine chloride Traditional Name: [3-amino-4-(methylamino)benzyl]-[2-(3-methylimidazol-3-ium-1-yl)ethyl]amine chloride Formula: C14H22ClN5 MolecularWeight: 295.81098

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)CNCCN2C=C[N+](=C2)C)N.[Cl-]

Isomeric SMILES

CNC1=C(C=C(C=C1)CNCCN2C=C[N+](=C2)C)N.[Cl-]

InChI

InChI=1S/C14H22N5.ClH/c1-16-14-4-3-12(9-13(14)15)10-17-5-6-19-8-7-18(2)11-19;/h3-4,7-9,11,16-17H,5-6,10,15H2,1-2H3;1H/q+1;/p-1