[5-ethyl-1-(3-methylphenyl)-3-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-ethyl-1-(3-methylphenyl)-3-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-ethyl-1-(m-tolyl)-3-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [5-ethyl-1-(3-methylphenyl)-3-propyl-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-ethyl-1-(3-methylphenyl)-3-propylpyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-ethyl-1-(m-tolyl)-3-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC)CC)C3=CC=CC(=C3)C

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC)CC)C3=CC=CC(=C3)C

InChI

InChI=1S/C22H32N4O/c1-5-9-19-21(22(27)25-14-12-24(7-3)13-15-25)20(6-2)26(23-19)18-11-8-10-17(4)16-18/h8,10-11,16H,5-7,9,12-15H2,1-4H3/p+1