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

Systemtic Name: 2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-1-phenyl-indazol-3-one iodide Openeye Name: 2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-1-phenyl-indazol-3-one iodide CAS Name: 2-[3-(1-methyl-1-piperidin-1-iumyl)propyl]-1-phenyl-3-indazolone iodide IUPAC Name: 2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-1-phenylindazol-3-one iodide Traditional Name: 2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-1-phenyl-indazolin-3-one iodide Formula: C22H28IN3O MolecularWeight: 477.38169

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCCN2C(=O)C3=CC=CC=C3N2C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCCN2C(=O)C3=CC=CC=C3N2C4=CC=CC=C4.[I-]

InChI

InChI=1S/C22H28N3O.HI/c1-25(16-8-3-9-17-25)18-10-15-23-22(26)20-13-6-7-14-21(20)24(23)19-11-4-2-5-12-19;/h2,4-7,11-14H,3,8-10,15-18H2,1H3;1H/q+1;/p-1