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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O/c1-5-8-18-20(21(26)24-13-11-23(4)12-14-24)19(6-2)25(22-18)17-10-7-9-16(3)15-17/h7,9-10,15H,5-6,8,11-14H2,1-4H3/p+1