2-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-5-methyl-1,3-benzothiazol-3-yl]ethanol

Systemtic Name: 2-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-5-methyl-1,3-benzothiazol-3-yl]ethanol Openeye Name: 2-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-5-methyl-1,3-benzothiazol-3-yl]ethanol CAS Name: 2-[(2Z)-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]-5-methyl-1,3-benzothiazol-3-yl]ethanol IUPAC Name: 2-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-5-methyl-1,3-benzothiazol-3-yl]ethanol Traditional Name: 2-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-5-methyl-1,3-benzothiazol-3-yl]ethanol Formula: C22H23N2OS+ MolecularWeight: 363.49582

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=CC=CC=C21)C=C3N(C4=C(S3)C=CC(=C4)C)CCO

Isomeric SMILES

CC[N+]1=C(C=CC2=CC=CC=C21)/C=C\3/N(C4=C(S3)C=CC(=C4)C)CCO

InChI

InChI=1S/C22H23N2OS/c1-3-23-18(10-9-17-6-4-5-7-19(17)23)15-22-24(12-13-25)20-14-16(2)8-11-21(20)26-22/h4-11,14-15,25H,3,12-13H2,1-2H3/q+1