3-ethyl-2-[(3E)-3-(1-ethylquinolin-2-ylidene)prop-1-ynyl]-1,3-benzothiazol-3-ium perchlorate

Systemtic Name: 3-ethyl-2-[(3E)-3-(1-ethylquinolin-2-ylidene)prop-1-ynyl]-1,3-benzothiazol-3-ium perchlorate Openeye Name: 3-ethyl-2-[(3E)-3-(1-ethyl-2-quinolylidene)prop-1-ynyl]-1,3-benzothiazol-3-ium perchlorate CAS Name: 3-ethyl-2-[(3E)-3-(1-ethyl-2-quinolinylidene)prop-1-ynyl]-1,3-benzothiazol-3-ium perchlorate IUPAC Name: 3-ethyl-2-[(3E)-3-(1-ethylquinolin-2-ylidene)prop-1-ynyl]-1,3-benzothiazol-3-ium perchlorate Traditional Name: 3-ethyl-2-[(3E)-3-(1-ethyl-2-quinolylidene)prop-1-ynyl]-1,3-benzothiazol-3-ium perchlorate Formula: C23H21ClN2O4S MolecularWeight: 456.94184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC#CC2=[N+](C3=CC=CC=C3S2)CC)C=CC4=CC=CC=C41.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCN1/C(=C/C#CC2=[N+](C3=CC=CC=C3S2)CC)/C=CC4=CC=CC=C41.[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/h5-8,10-14,16-17H,3-4H2,1-2H3;(H,2,3,4,5)/q+1;/p-1