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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-methylphenyl)-3,5-dipropyl-pyrazol-4-yl]methanone Openeye Name: [3,5-dipropyl-1-(p-tolyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-(4-methylphenyl)-3,5-dipropyl-4-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-methylphenyl)-3,5-dipropylpyrazol-4-yl]methanone Traditional Name: [3,5-dipropyl-1-(p-tolyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C23H35N4O+ MolecularWeight: 383.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=C(C=C2)C)CCC)C(=O)N3CC[NH+](CC3)CC

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=C(C=C2)C)CCC)C(=O)N3CC[NH+](CC3)CC

InChI

InChI=1S/C23H34N4O/c1-5-8-20-22(23(28)26-16-14-25(7-3)15-17-26)21(9-6-2)27(24-20)19-12-10-18(4)11-13-19/h10-13H,5-9,14-17H2,1-4H3/p+1