(2Z)-3-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-ynylidene]-1,3-benzothiazole perchlorate

Systemtic Name: (2Z)-3-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-ynylidene]-1,3-benzothiazole perchlorate Openeye Name: (2Z)-3-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-ynylidene]-1,3-benzothiazole perchlorate CAS Name: (2Z)-3-ethyl-2-[3-(1-ethyl-2-quinolin-1-iumyl)prop-2-ynylidene]-1,3-benzothiazole perchlorate IUPAC Name: (2Z)-3-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-ynylidene]-1,3-benzothiazole perchlorate Traditional Name: (2Z)-3-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-ynylidene]-1,3-benzothiazole perchlorate Formula: C23H21ClN2O4S MolecularWeight: 456.94184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC#CC3=[N+](C4=CC=CC=C4C=C3)CC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C#CC3=[N+](C4=CC=CC=C4C=C3)CC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C23H21N2S.ClHO4/c1-3-24-19(17-16-18-10-5-6-12-20(18)24)11-9-15-23-25(4-2)21-13-7-8-14-22(21)26-23;2-1(3,4)5/h5-8,10,12-17H,3-4H2,1-2H3;(H,2,3,4,5)/q+1;/p-1