(2-methylpyrazol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-methylpyrazol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone CAS Name: (2-methyl-3-pyrazolyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-methylpyrazol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CN1C(=CC=N1)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O/c1-20-17(9-10-19-20)18(23)22-14-12-21(13-15-22)11-5-8-16-6-3-2-4-7-16/h2-10H,11-15H2,1H3/p+1/b8-5+