[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-ethyl-1-(o-tolyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [5-ethyl-1-(2-methylphenyl)-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-ethyl-1-(o-tolyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=CC=C2C)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=C(C=NN1C2=CC=CC=C2C)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H24N4O/c1-4-16-15(18(23)21-11-9-20(3)10-12-21)13-19-22(16)17-8-6-5-7-14(17)2/h5-8,13H,4,9-12H2,1-3H3/p+1