5-azanyl-2-[3-(3-methyl-1H-imidazol-3-ium-2-yl)propylamino]benzenecarbonitrile chloride

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5.ClH/c1-19-8-7-18-14(19)3-2-6-17-13-5-4-12(16)9-11(13)10-15;/h4-5,7-9,17H,2-3,6,16H2,1H3;1H