[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=C(C=C(C=C3)C)C)C4=CC=CC=C4

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=C(C=C(C=C3)C)C)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O/c1-4-12-27-13-15-28(16-14-27)25(30)23-18-29(21-8-6-5-7-9-21)26-24(23)22-11-10-19(2)17-20(22)3/h5-11,17-18H,4,12-16H2,1-3H3/p+1