1-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)-N-(1-methyl-2-phenyl-indol-3-yl)methanimine iodide

Systemtic Name: 1-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)-N-(1-methyl-2-phenyl-indol-3-yl)methanimine iodide Openeye Name: 1-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)-N-(1-methyl-2-phenyl-indol-3-yl)methanimine iodide CAS Name: 1-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)-N-(1-methyl-2-phenyl-3-indolyl)methanimine iodide IUPAC Name: 1-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)-N-(1-methyl-2-phenylindol-3-yl)methanimine iodide Traditional Name: (3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)methylene-(1-methyl-2-phenyl-indol-3-yl)amine iodide Formula: C25H21IN4O2S MolecularWeight: 568.42931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=CC(=C2)[N+](=O)[O-])C=NC3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C=CC(=C2)[N+](=O)[O-])C=NC3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C25H21N4O2S.HI/c1-3-28-21-14-13-18(29(30)31)15-22(21)32-23(28)16-26-24-19-11-7-8-12-20(19)27(2)25(24)17-9-5-4-6-10-17;/h4-16H,3H2,1-2H3;1H/q+1;/p-1