(4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]methanone

Systemtic Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]methanone Openeye Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]methanone CAS Name: (4-cyclohexyl-1-piperazin-4-iumyl)-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]methanone IUPAC Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]methanone Traditional Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]methanone Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=CC(=NN2)C(=O)N3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=CC(=NN2)C(=O)N3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C22H30N4O3/c1-28-19-8-5-9-20(15-19)29-16-17-14-21(24-23-17)22(27)26-12-10-25(11-13-26)18-6-3-2-4-7-18/h5,8-9,14-15,18H,2-4,6-7,10-13,16H2,1H3,(H,23,24)/p+1