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

Systemtic Name: 2-[2-(3-methylimidazol-3-ium-1-yl)ethyl]benzene-1,4-diamine chloride Openeye Name: 2-[2-(3-methylimidazol-3-ium-1-yl)ethyl]benzene-1,4-diamine chloride CAS Name: 2-[2-(3-methyl-1-imidazol-3-iumyl)ethyl]benzene-1,4-diamine chloride IUPAC Name: 2-[2-(3-methylimidazol-3-ium-1-yl)ethyl]benzene-1,4-diamine chloride Traditional Name: [4-amino-2-[2-(3-methylimidazol-3-ium-1-yl)ethyl]phenyl]amine chloride Formula: C12H17ClN4 MolecularWeight: 252.74318

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCC2=C(C=CC(=C2)N)N.[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCC2=C(C=CC(=C2)N)N.[Cl-]

InChI

InChI=1S/C12H17N4.ClH/c1-15-6-7-16(9-15)5-4-10-8-11(13)2-3-12(10)14;/h2-3,6-9H,4-5,13-14H2,1H3;1H/q+1;/p-1