[3,5-diethyl-1-(3-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3,5-diethyl-1-(3-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [3,5-diethyl-1-(m-tolyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [3,5-diethyl-1-(3-methylphenyl)-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3,5-diethyl-1-(3-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [3,5-diethyl-1-(m-tolyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=CC(=C2)C)CC)C(=O)N3CC[NH+](CC3)CC

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=CC(=C2)C)CC)C(=O)N3CC[NH+](CC3)CC

InChI

InChI=1S/C21H30N4O/c1-5-18-20(21(26)24-13-11-23(7-3)12-14-24)19(6-2)25(22-18)17-10-8-9-16(4)15-17/h8-10,15H,5-7,11-14H2,1-4H3/p+1