2-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1-phenyl-indazol-3-one iodide

Systemtic Name: 2-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1-phenyl-indazol-3-one iodide Openeye Name: 2-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1-phenyl-indazol-3-one iodide CAS Name: 2-[3-(4-methyl-4-morpholin-4-iumyl)propyl]-1-phenyl-3-indazolone iodide IUPAC Name: 2-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1-phenylindazol-3-one iodide Traditional Name: 2-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1-phenyl-indazolin-3-one iodide Formula: C21H26IN3O2 MolecularWeight: 479.35451

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CCCN2C(=O)C3=CC=CC=C3N2C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1(CCOCC1)CCCN2C(=O)C3=CC=CC=C3N2C4=CC=CC=C4.[I-]

InChI

InChI=1S/C21H26N3O2.HI/c1-24(14-16-26-17-15-24)13-7-12-22-21(25)19-10-5-6-11-20(19)23(22)18-8-3-2-4-9-18;/h2-6,8-11H,7,12-17H2,1H3;1H/q+1;/p-1