(4Z)-N,N-diethyl-4-[(3-methyl-2H-1,3-benzothiazol-2-yl)methylidene]-1-phenyl-1H-quinolin-1-ium-2-amine iodide

Systemtic Name: (4Z)-N,N-diethyl-4-[(3-methyl-2H-1,3-benzothiazol-2-yl)methylidene]-1-phenyl-1H-quinolin-1-ium-2-amine iodide Openeye Name: (4Z)-N,N-diethyl-4-[(3-methyl-2H-1,3-benzothiazol-2-yl)methylene]-1-phenyl-1H-quinolin-1-ium-2-amine iodide CAS Name: (4Z)-N,N-diethyl-4-[(3-methyl-2H-1,3-benzothiazol-2-yl)methylidene]-1-phenyl-1H-quinolin-1-ium-2-amine iodide IUPAC Name: (4Z)-N,N-diethyl-4-[(3-methyl-2H-1,3-benzothiazol-2-yl)methylidene]-1-phenyl-1H-quinolin-1-ium-2-amine iodide Traditional Name: diethyl-[(4Z)-4-[(3-methyl-2H-1,3-benzothiazol-2-yl)methylene]-1-phenyl-1H-quinolin-1-ium-2-yl]amine iodide Formula: C28H30IN3S MolecularWeight: 567.52737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=CC2N(C3=CC=CC=C3S2)C)C4=CC=CC=C4[NH+]1C5=CC=CC=C5.[I-]

Isomeric SMILES

CCN(CC)C1=C/C(=C/C2N(C3=CC=CC=C3S2)C)/C4=CC=CC=C4[NH+]1C5=CC=CC=C5.[I-]

InChI

InChI=1S/C28H29N3S.HI/c1-4-30(5-2)27-19-21(20-28-29(3)25-17-11-12-18-26(25)32-28)23-15-9-10-16-24(23)31(27)22-13-7-6-8-14-22;/h6-20,28H,4-5H2,1-3H3;1H/b21-20-;