[(3R,4R)-4-cyano-5-(cyanomethyl)-2-phenyl-3,4-dihydropyrazol-3-yl]azanium

Systemtic Name: [(3R,4R)-4-cyano-5-(cyanomethyl)-2-phenyl-3,4-dihydropyrazol-3-yl]azanium Openeye Name: [(3R,4R)-4-cyano-5-(cyanomethyl)-2-phenyl-3,4-dihydropyrazol-3-yl]ammonium CAS Name: [(3R,4R)-4-cyano-5-(cyanomethyl)-2-phenyl-3,4-dihydropyrazol-3-yl]ammonium IUPAC Name: [(3R,4R)-4-cyano-5-(cyanomethyl)-2-phenyl-3,4-dihydropyrazol-3-yl]azanium Traditional Name: [(3R,4R)-4-cyano-5-(cyanomethyl)-2-phenyl-2-pyrazolin-3-yl]ammonium Formula: C12H12N5+ MolecularWeight: 226.25718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(C(C(=N2)CC#N)C#N)[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)N2[C@H]([C@H](C(=N2)CC#N)C#N)[NH3+]

InChI

InChI=1S/C12H11N5/c13-7-6-11-10(8-14)12(15)17(16-11)9-4-2-1-3-5-9/h1-5,10,12H,6,15H2/p+1/t10-,12+/m0/s1