(3-cyclopropyl-5-ethyl-1-phenyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3-cyclopropyl-5-ethyl-1-phenyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: (3-cyclopropyl-5-ethyl-1-phenyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (3-cyclopropyl-5-ethyl-1-phenyl-4-pyrazolyl)-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3-cyclopropyl-5-ethyl-1-phenylpyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (3-cyclopropyl-5-ethyl-1-phenyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=CC=C2)C3CC3)C(=O)N4CC[NH+](CC4)CC

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=CC=C2)C3CC3)C(=O)N4CC[NH+](CC4)CC

InChI

InChI=1S/C21H28N4O/c1-3-18-19(21(26)24-14-12-23(4-2)13-15-24)20(16-10-11-16)22-25(18)17-8-6-5-7-9-17/h5-9,16H,3-4,10-15H2,1-2H3/p+1