(1-phenylpyrazol-4-yl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (1-phenylpyrazol-4-yl)-piperazin-4-ium-1-yl-methanone Openeye Name: (1-phenylpyrazol-4-yl)-piperazin-4-ium-1-yl-methanone CAS Name: (1-phenyl-4-pyrazolyl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (1-phenylpyrazol-4-yl)-piperazin-4-ium-1-ylmethanone Traditional Name: (1-phenylpyrazol-4-yl)-piperazin-4-ium-1-yl-methanone Formula: C14H17N4O+ MolecularWeight: 257.31098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C14H16N4O/c19-14(17-8-6-15-7-9-17)12-10-16-18(11-12)13-4-2-1-3-5-13/h1-5,10-11,15H,6-9H2/p+1