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

Systemtic Name: 5-azanyl-2-[3-(3-methylimidazol-3-ium-1-yl)propylamino]benzenecarbonitrile chloride Openeye Name: 5-amino-2-[3-(3-methylimidazol-3-ium-1-yl)propylamino]benzonitrile chloride CAS Name: 5-amino-2-[3-(3-methyl-1-imidazol-3-iumyl)propylamino]benzonitrile chloride IUPAC Name: 5-amino-2-[3-(3-methylimidazol-3-ium-1-yl)propylamino]benzonitrile chloride Traditional Name: 5-amino-2-[3-(3-methylimidazol-3-ium-1-yl)propylamino]benzonitrile chloride Formula: C14H18ClN5 MolecularWeight: 291.77922

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C14H18N5.ClH/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;1H/q+1;/p-1