(2-methoxy-2-oxidanylidene-ethyl)-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl)-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: (2-methoxy-2-oxo-ethyl)-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: (2-methoxy-2-oxoethyl)-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (2-methoxy-2-oxoethyl)-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: (2-keto-2-methoxy-ethyl)-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C13H16N3O2+ MolecularWeight: 246.28504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH2+]CC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C[NH2+]CC1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C13H15N3O2/c1-18-13(17)9-14-7-11-8-15-16(10-11)12-5-3-2-4-6-12/h2-6,8,10,14H,7,9H2,1H3/p+1