(3E)-3-(5-azanyl-3-phenyl-pyrazol-1-ium-4-ylidene)-3-phenyl-propanenitrile

Systemtic Name: (3E)-3-(5-azanyl-3-phenyl-pyrazol-1-ium-4-ylidene)-3-phenyl-propanenitrile Openeye Name: (3E)-3-(5-amino-3-phenyl-pyrazol-1-ium-4-ylidene)-3-phenyl-propanenitrile CAS Name: (3E)-3-(5-amino-3-phenyl-4-pyrazol-1-iumylidene)-3-phenylpropanenitrile IUPAC Name: (3E)-3-(5-amino-3-phenylpyrazol-1-ium-4-ylidene)-3-phenylpropanenitrile Traditional Name: (3E)-3-(5-amino-3-phenyl-pyrazol-1-ium-4-ylidene)-3-phenyl-propionitrile Formula: C18H15N4+ MolecularWeight: 287.3385

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=N[NH+]=C(C2=C(CC#N)C3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)C\2=N[NH+]=C(/C2=C(\CC#N)/C3=CC=CC=C3)N

InChI

InChI=1S/C18H14N4/c19-12-11-15(13-7-3-1-4-8-13)16-17(21-22-18(16)20)14-9-5-2-6-10-14/h1-10H,11H2,(H2,20,22)/p+1/b16-15+