diethyl-methyl-[3-(3-oxidanylidene-1-phenyl-indazol-2-yl)propyl]azanium iodide

Systemtic Name: diethyl-methyl-[3-(3-oxidanylidene-1-phenyl-indazol-2-yl)propyl]azanium iodide Openeye Name: diethyl-methyl-[3-(3-oxo-1-phenyl-indazol-2-yl)propyl]ammonium iodide CAS Name: diethyl-methyl-[3-(3-oxo-1-phenyl-2-indazolyl)propyl]ammonium iodide IUPAC Name: diethyl-methyl-[3-(3-oxo-1-phenylindazol-2-yl)propyl]azanium iodide Traditional Name: diethyl-[3-(3-keto-1-phenyl-indazolin-2-yl)propyl]-methyl-ammonium iodide Formula: C21H28IN3O MolecularWeight: 465.37099

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCCN1C(=O)C2=CC=CC=C2N1C3=CC=CC=C3.[I-]

Isomeric SMILES

CC[N+](C)(CC)CCCN1C(=O)C2=CC=CC=C2N1C3=CC=CC=C3.[I-]

InChI

InChI=1S/C21H28N3O.HI/c1-4-24(3,5-2)17-11-16-22-21(25)19-14-9-10-15-20(19)23(22)18-12-7-6-8-13-18;/h6-10,12-15H,4-5,11,16-17H2,1-3H3;1H/q+1;/p-1