[(1S)-1-[3-[(1-methylpyrazol-4-yl)carbonylamino]phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[3-[(1-methylpyrazol-4-yl)carbonylamino]phenyl]ethyl]azanium Openeye Name: [(1S)-1-[3-[(1-methylpyrazole-4-carbonyl)amino]phenyl]ethyl]ammonium CAS Name: [(1S)-1-[3-[[(1-methyl-4-pyrazolyl)-oxomethyl]amino]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[3-[(1-methylpyrazole-4-carbonyl)amino]phenyl]ethyl]azanium Traditional Name: [(1S)-1-[3-[(1-methylpyrazole-4-carbonyl)amino]phenyl]ethyl]ammonium Formula: C13H17N4O+ MolecularWeight: 245.30028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)NC(=O)C2=CN(N=C2)C)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)NC(=O)C2=CN(N=C2)C)[NH3+]

InChI

InChI=1S/C13H16N4O/c1-9(14)10-4-3-5-12(6-10)16-13(18)11-7-15-17(2)8-11/h3-9H,14H2,1-2H3,(H,16,18)/p+1/t9-/m0/s1