5-azanyl-2-[3-(3-methylimidazol-3-ium-1-yl)propylamino]benzenecarbonitrile

Systemtic Name: 5-azanyl-2-[3-(3-methylimidazol-3-ium-1-yl)propylamino]benzenecarbonitrile Openeye Name: 5-amino-2-[3-(3-methylimidazol-3-ium-1-yl)propylamino]benzonitrile CAS Name: 5-amino-2-[3-(3-methyl-1-imidazol-3-iumyl)propylamino]benzonitrile IUPAC Name: 5-amino-2-[3-(3-methylimidazol-3-ium-1-yl)propylamino]benzonitrile Traditional Name: 5-amino-2-[3-(3-methylimidazol-3-ium-1-yl)propylamino]benzonitrile Formula: C14H18N5+ MolecularWeight: 256.32622

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCCNC2=C(C=C(C=C2)N)C#N

Isomeric SMILES

C[N+]1=CN(C=C1)CCCNC2=C(C=C(C=C2)N)C#N

InChI

InChI=1S/C14H18N5/c1-18-7-8-19(11-18)6-2-5-17-14-4-3-13(16)9-12(14)10-15/h3-4,7-9,11,17H,2,5-6,16H2,1H3/q+1