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4-[3-(1H-imidazol-3-ium-3-yl)propoxy]benzene-1,3-diamine

4-[3-(1H-imidazol-3-ium-3-yl)propoxy]benzene-1,3-diamine

Systemtic Name:4-[3-(1H-imidazol-3-ium-3-yl)propoxy]benzene-1,3-diamine
Openeye Name:4-[3-(1H-imidazol-3-ium-3-yl)propoxy]benzene-1,3-diamine
CAS Name:4-[3-(1H-imidazol-3-ium-3-yl)propoxy]benzene-1,3-diamine
IUPAC Name:4-[3-(1H-imidazol-3-ium-3-yl)propoxy]benzene-1,3-diamine
Traditional Name:[3-amino-4-[3-(1H-imidazol-3-ium-3-yl)propoxy]phenyl]amine
Formula: C12H17N4O+
MolecularWeight: 233.28958
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)N)OCCC[N+]2=CNC=C2


Isomeric SMILES

C1=CC(=C(C=C1N)N)OCCC[N+]2=CNC=C2


InChI

InChI=1S/C12H16N4O/c13-10-2-3-12(11(14)8-10)17-7-1-5-16-6-4-15-9-16/h2-4,6,8-9H,1,5,7,13-14H2/p+1


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