N2-[3-[3-[2-[(2-aminophenyl)amino]ethyl]imidazol-1-ium-1-yl]propyl]benzene-1,2-diamine chloride

Systemtic Name: N2-[3-[3-[2-[(2-aminophenyl)amino]ethyl]imidazol-1-ium-1-yl]propyl]benzene-1,2-diamine chloride Openeye Name: N2-[3-[3-[2-(2-aminoanilino)ethyl]imidazol-1-ium-1-yl]propyl]benzene-1,2-diamine chloride CAS Name: N2-[3-[3-[2-(2-aminoanilino)ethyl]-1-imidazol-1-iumyl]propyl]benzene-1,2-diamine chloride IUPAC Name: 2-N-[3-[3-[2-(2-aminoanilino)ethyl]imidazol-1-ium-1-yl]propyl]benzene-1,2-diamine chloride Traditional Name: 3-[3-[2-(2-aminoanilino)ethyl]imidazol-1-ium-1-yl]propyl-(2-aminophenyl)amine chloride Formula: C20H27ClN6 MolecularWeight: 386.92158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)NCCC[N+]2=CN(C=C2)CCNC3=CC=CC=C3N.[Cl-]

Isomeric SMILES

C1=CC=C(C(=C1)N)NCCC[N+]2=CN(C=C2)CCNC3=CC=CC=C3N.[Cl-]

InChI

InChI=1S/C20H27N6.ClH/c21-17-6-1-3-8-19(17)23-10-5-12-25-14-15-26(16-25)13-11-24-20-9-4-2-7-18(20)22;/h1-4,6-9,14-16,23-24H,5,10-13,21-22H2;1H/q+1;/p-1