N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-2-phenyl-3-pyrazolyl)-2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2-keto-2-morpholino-ethyl)piperazin-1-ium-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C22H31N6O3+ MolecularWeight: 427.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)CC(=O)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)CC(=O)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H30N6O3/c1-18-15-20(28(24-18)19-5-3-2-4-6-19)23-21(29)16-25-7-9-26(10-8-25)17-22(30)27-11-13-31-14-12-27/h2-6,15H,7-14,16-17H2,1H3,(H,23,29)/p+1