(4-ethylpiperazin-4-ium-1-yl)-[1-(2-methylphenyl)-5-propyl-pyrazol-4-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(2-methylphenyl)-5-propyl-pyrazol-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(o-tolyl)-5-propyl-pyrazol-4-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-(2-methylphenyl)-5-propyl-4-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(o-tolyl)-5-propyl-pyrazol-4-yl]methanone Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2C)C(=O)N3CC[NH+](CC3)CC

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2C)C(=O)N3CC[NH+](CC3)CC

InChI

InChI=1S/C20H28N4O/c1-4-8-19-17(20(25)23-13-11-22(5-2)12-14-23)15-21-24(19)18-10-7-6-9-16(18)3/h6-7,9-10,15H,4-5,8,11-14H2,1-3H3/p+1