2-[(2S)-5-azanyl-2-propan-2-yl-2H-imidazol-1-ium-4-yl]propanedinitrile

Systemtic Name: 2-[(2S)-5-azanyl-2-propan-2-yl-2H-imidazol-1-ium-4-yl]propanedinitrile Openeye Name: 2-[(2S)-5-amino-2-isopropyl-2H-imidazol-1-ium-4-yl]propanedinitrile CAS Name: 2-[(2S)-5-amino-2-propan-2-yl-2H-imidazol-1-ium-4-yl]propanedinitrile IUPAC Name: 2-[(2S)-5-amino-2-propan-2-yl-2H-imidazol-1-ium-4-yl]propanedinitrile Traditional Name: 2-[(2S)-5-amino-2-isopropyl-2H-imidazol-1-ium-4-yl]malononitrile Formula: C9H12N5+ MolecularWeight: 190.22508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1[NH+]=C(C(=N1)C(C#N)C#N)N

Isomeric SMILES

CC(C)[C@@H]1[NH+]=C(C(=N1)C(C#N)C#N)N

InChI

InChI=1S/C9H11N5/c1-5(2)9-13-7(8(12)14-9)6(3-10)4-11/h5-6,9H,1-2H3,(H2,12,14)/p+1/t9-/m0/s1