1-[(3,5-dinitrophenyl)methyl]-2,3,3-trimethyl-indol-1-ium iodide

Systemtic Name: 1-[(3,5-dinitrophenyl)methyl]-2,3,3-trimethyl-indol-1-ium iodide Openeye Name: 1-[(3,5-dinitrophenyl)methyl]-2,3,3-trimethyl-indol-1-ium iodide CAS Name: 1-[(3,5-dinitrophenyl)methyl]-2,3,3-trimethylindol-1-ium iodide IUPAC Name: 1-[(3,5-dinitrophenyl)methyl]-2,3,3-trimethylindol-1-ium iodide Traditional Name: 1-(3,5-dinitrobenzyl)-2,3,3-trimethyl-indol-1-ium iodide Formula: C18H18IN3O4 MolecularWeight: 467.25769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C1(C)C)CC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-].[I-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C1(C)C)CC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-].[I-]

InChI

InChI=1S/C18H18N3O4.HI/c1-12-18(2,3)16-6-4-5-7-17(16)19(12)11-13-8-14(20(22)23)10-15(9-13)21(24)25;/h4-10H,11H2,1-3H3;1H/q+1;/p-1