2-[4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCOCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCOCC4)C

InChI

InChI=1S/C22H29N5O3/c1-17-15-18(2)27(23-17)20-5-3-19(4-6-20)22(29)26-9-7-24(8-10-26)16-21(28)25-11-13-30-14-12-25/h3-6,15H,7-14,16H2,1-2H3/p+1