(E)-N-(4-methylpiperazin-4-ium-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-(4-methylpiperazin-4-ium-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-(4-methylpiperazin-4-ium-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-(4-methyl-1-piperazin-4-iumyl)-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-(4-methylpiperazin-4-ium-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(4-methylpiperazin-4-ium-1-yl)-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C17H22N5O+ MolecularWeight: 312.38948

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C=CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N5O/c1-20-9-11-21(12-10-20)19-17(23)8-7-15-13-18-22(14-15)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,19,23)/p+1/b8-7+