(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C25H29N4O+ MolecularWeight: 401.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)N3CC[NH+](CC3C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)N3CC[NH+](C[C@H]3C4=CC=CC=C4)C

InChI

InChI=1S/C25H28N4O/c1-19-23(20(2)29(26-19)22-12-8-5-9-13-22)14-15-25(30)28-17-16-27(3)18-24(28)21-10-6-4-7-11-21/h4-15,24H,16-18H2,1-3H3/p+1/b15-14+/t24-/m0/s1