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

Systemtic Name: 4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]benzene-1,3-diamine Openeye Name: 4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]benzene-1,3-diamine CAS Name: 4-[2-(3-methyl-1-imidazol-3-iumyl)ethyl]benzene-1,3-diamine IUPAC Name: 4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]benzene-1,3-diamine Traditional Name: [3-amino-4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]phenyl]amine Formula: C12H17N4+ MolecularWeight: 217.29018

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCC2=C(C=C(C=C2)N)N

Isomeric SMILES

C[N+]1=CN(C=C1)CCC2=C(C=C(C=C2)N)N

InChI

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