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

Systemtic Name: (3-cyclopropyl-1-phenyl-5-propyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: (3-cyclopropyl-1-phenyl-5-propyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (3-cyclopropyl-1-phenyl-5-propyl-4-pyrazolyl)-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3-cyclopropyl-1-phenyl-5-propylpyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (3-cyclopropyl-1-phenyl-5-propyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=CC=C2)C3CC3)C(=O)N4CC[NH+](CC4)CC

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=CC=C2)C3CC3)C(=O)N4CC[NH+](CC4)CC

InChI

InChI=1S/C22H30N4O/c1-3-8-19-20(22(27)25-15-13-24(4-2)14-16-25)21(17-11-12-17)23-26(19)18-9-6-5-7-10-18/h5-7,9-10,17H,3-4,8,11-16H2,1-2H3/p+1