3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propylazanium

Systemtic Name: 3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propylazanium Openeye Name: 3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylammonium CAS Name: 3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propylammonium IUPAC Name: 3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propylazanium Traditional Name: 3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylammonium Formula: C13H16N5+ MolecularWeight: 242.29964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5/c14-8-4-7-12-11(9-15)13(16)18(17-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8,14,16H2/p+1