(2E)-1,6-dimethyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]quinoline iodide

Systemtic Name: (2E)-1,6-dimethyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]quinoline iodide Openeye Name: (2E)-1,6-dimethyl-2-[(1-methylquinolin-1-ium-4-yl)methylene]quinoline iodide CAS Name: (2E)-1,6-dimethyl-2-[(1-methyl-4-quinolin-1-iumyl)methylidene]quinoline iodide IUPAC Name: (2E)-1,6-dimethyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]quinoline iodide Traditional Name: (2E)-1,6-dimethyl-2-[(1-methylquinolin-1-ium-4-yl)methylene]quinoline iodide Formula: C22H21IN2 MolecularWeight: 440.32001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=CC3=CC=[N+](C4=CC=CC=C34)C)C=C2)C.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(/C(=C/C3=CC=[N+](C4=CC=CC=C34)C)/C=C2)C.[I-]

InChI

InChI=1S/C22H21N2.HI/c1-16-8-11-21-18(14-16)9-10-19(24(21)3)15-17-12-13-23(2)22-7-5-4-6-20(17)22;/h4-15H,1-3H3;1H/q+1;/p-1