5-azanyl-1-tert-butyl-3-(4-chlorophenyl)-4H-pyrazol-1-ium-4-carbonitrile

Systemtic Name: 5-azanyl-1-tert-butyl-3-(4-chlorophenyl)-4H-pyrazol-1-ium-4-carbonitrile Openeye Name: 5-amino-1-tert-butyl-3-(4-chlorophenyl)-4H-pyrazol-1-ium-4-carbonitrile CAS Name: 5-amino-1-tert-butyl-3-(4-chlorophenyl)-4H-pyrazol-1-ium-4-carbonitrile IUPAC Name: 5-amino-1-tert-butyl-3-(4-chlorophenyl)-4H-pyrazol-1-ium-4-carbonitrile Traditional Name: 5-amino-1-tert-butyl-3-(4-chlorophenyl)-4H-pyrazol-1-ium-4-carbonitrile Formula: C14H16ClN4+ MolecularWeight: 275.75664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1=C(C(C(=N1)C2=CC=C(C=C2)Cl)C#N)N

Isomeric SMILES

CC(C)(C)[N+]1=C(C(C(=N1)C2=CC=C(C=C2)Cl)C#N)N

InChI

InChI=1S/C14H15ClN4/c1-14(2,3)19-13(17)11(8-16)12(18-19)9-4-6-10(15)7-5-9/h4-7,11,17H,1-3H3/p+1