1,5-dimethyl-4-[(3-methyl-2-phenyl-morpholin-4-ium-4-yl)methyl]-2-phenyl-pyrazol-3-one chloride

Systemtic Name: 1,5-dimethyl-4-[(3-methyl-2-phenyl-morpholin-4-ium-4-yl)methyl]-2-phenyl-pyrazol-3-one chloride Openeye Name: 1,5-dimethyl-4-[(3-methyl-2-phenyl-morpholin-4-ium-4-yl)methyl]-2-phenyl-pyrazol-3-one chloride CAS Name: 1,5-dimethyl-4-[(3-methyl-2-phenyl-4-morpholin-4-iumyl)methyl]-2-phenyl-3-pyrazolone chloride IUPAC Name: 1,5-dimethyl-4-[(3-methyl-2-phenylmorpholin-4-ium-4-yl)methyl]-2-phenylpyrazol-3-one chloride Traditional Name: 1,5-dimethyl-4-[(3-methyl-2-phenyl-morpholin-4-ium-4-yl)methyl]-2-phenyl-3-pyrazolin-3-one chloride Formula: C23H28ClN3O2 MolecularWeight: 413.94032

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OCC[NH+]1CC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1C(OCC[NH+]1CC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C23H27N3O2.ClH/c1-17-21(23(27)26(24(17)3)20-12-8-5-9-13-20)16-25-14-15-28-22(18(25)2)19-10-6-4-7-11-19;/h4-13,18,22H,14-16H2,1-3H3;1H