[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-(3-methoxyphenyl)-1-(p-tolyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [3-(3-methoxyphenyl)-1-(4-methylphenyl)-4-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-(3-methoxyphenyl)-1-(p-tolyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2/c1-4-12-27-13-15-28(16-14-27)25(30)23-18-29(21-10-8-19(2)9-11-21)26-24(23)20-6-5-7-22(17-20)31-3/h5-11,17-18H,4,12-16H2,1-3H3/p+1