N2-[3-(3-methylimidazol-3-ium-1-yl)propyl]benzene-1,2-diamine

Systemtic Name: N2-[3-(3-methylimidazol-3-ium-1-yl)propyl]benzene-1,2-diamine Openeye Name: N2-[3-(3-methylimidazol-3-ium-1-yl)propyl]benzene-1,2-diamine CAS Name: N2-[3-(3-methyl-1-imidazol-3-iumyl)propyl]benzene-1,2-diamine IUPAC Name: 2-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]benzene-1,2-diamine Traditional Name: (2-aminophenyl)-[3-(3-methylimidazol-3-ium-1-yl)propyl]amine Formula: C13H19N4+ MolecularWeight: 231.31676

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCCNC2=CC=CC=C2N

Isomeric SMILES

C[N+]1=CN(C=C1)CCCNC2=CC=CC=C2N

InChI

InChI=1S/C13H19N4/c1-16-9-10-17(11-16)8-4-7-15-13-6-3-2-5-12(13)14/h2-3,5-6,9-11,15H,4,7-8,14H2,1H3/q+1