[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[5-methyl-1-(m-tolyl)pyrazol-4-yl]methanone CAS Name: [5-methyl-1-(3-methylphenyl)-4-pyrazolyl]-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[5-methyl-1-(m-tolyl)pyrazol-4-yl]methanone Formula: C25H29N4O+ MolecularWeight: 401.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)C

InChI

InChI=1S/C25H28N4O/c1-20-8-6-12-23(18-20)29-21(2)24(19-26-29)25(30)28-16-14-27(15-17-28)13-7-11-22-9-4-3-5-10-22/h3-12,18-19H,13-17H2,1-2H3/p+1/b11-7+