[3-(3-pyrazol-1-ylpropanoylamino)phenyl]methylazanium

Systemtic Name: [3-(3-pyrazol-1-ylpropanoylamino)phenyl]methylazanium Openeye Name: [3-(3-pyrazol-1-ylpropanoylamino)phenyl]methylammonium CAS Name: [3-[[1-oxo-3-(1-pyrazolyl)propyl]amino]phenyl]methylammonium IUPAC Name: [3-(3-pyrazol-1-ylpropanoylamino)phenyl]methylazanium Traditional Name: [3-(3-pyrazol-1-ylpropanoylamino)benzyl]ammonium Formula: C13H17N4O+ MolecularWeight: 245.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCN2C=CC=N2)C[NH3+]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCN2C=CC=N2)C[NH3+]

InChI

InChI=1S/C13H16N4O/c14-10-11-3-1-4-12(9-11)16-13(18)5-8-17-7-2-6-15-17/h1-4,6-7,9H,5,8,10,14H2,(H,16,18)/p+1