5-methyl-4,4-di(morpholin-4-ium-4-yl)-2-phenyl-pyrazol-3-one

Systemtic Name: 5-methyl-4,4-di(morpholin-4-ium-4-yl)-2-phenyl-pyrazol-3-one Openeye Name: 5-methyl-4,4-di(morpholin-4-ium-4-yl)-2-phenyl-pyrazol-3-one CAS Name: 5-methyl-4,4-bis(4-morpholin-4-iumyl)-2-phenyl-3-pyrazolone IUPAC Name: 5-methyl-4,4-di(morpholin-4-ium-4-yl)-2-phenylpyrazol-3-one Traditional Name: 5-methyl-4,4-di(morpholin-4-ium-4-yl)-2-phenyl-2-pyrazolin-3-one Formula: C18H26N4O3+2 MolecularWeight: 346.42404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1([NH+]2CCOCC2)[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1([NH+]2CCOCC2)[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C18H24N4O3/c1-15-18(20-7-11-24-12-8-20,21-9-13-25-14-10-21)17(23)22(19-15)16-5-3-2-4-6-16/h2-6H,7-14H2,1H3/p+2