[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-(4-ethylphenyl)-1-(o-tolyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [3-(4-ethylphenyl)-1-(2-methylphenyl)-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-(4-ethylphenyl)-1-(o-tolyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC)C4=CC=CC=C4C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC)C4=CC=CC=C4C

InChI

InChI=1S/C25H30N4O/c1-4-20-10-12-21(13-11-20)24-22(25(30)28-16-14-27(5-2)15-17-28)18-29(26-24)23-9-7-6-8-19(23)3/h6-13,18H,4-5,14-17H2,1-3H3/p+1