1-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide

Systemtic Name: 1-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide Openeye Name: 1-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide CAS Name: 1-methyl-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-4-pyrazolecarboxamide IUPAC Name: 1-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide Traditional Name: 1-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide Formula: C17H24N5O+ MolecularWeight: 314.40536

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=N1)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C17H23N5O/c1-20-14-15(13-19-20)17(23)18-7-8-21-9-11-22(12-10-21)16-5-3-2-4-6-16/h2-6,13-14H,7-12H2,1H3,(H,18,23)/p+1