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

Systemtic Name: 2-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-5-phenyl-1,3-benzothiazol-3-yl]ethanol Openeye Name: 2-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-5-phenyl-1,3-benzothiazol-3-yl]ethanol CAS Name: 2-[(2Z)-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]-5-phenyl-1,3-benzothiazol-3-yl]ethanol IUPAC Name: 2-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-5-phenyl-1,3-benzothiazol-3-yl]ethanol Traditional Name: 2-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-5-phenyl-1,3-benzothiazol-3-yl]ethanol Formula: C27H25N2OS+ MolecularWeight: 425.5652

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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)C5=CC=CC=C5)CCO

Isomeric SMILES

CC[N+]1=C(C=CC2=CC=CC=C21)/C=C\3/N(C4=C(S3)C=CC(=C4)C5=CC=CC=C5)CCO

InChI

InChI=1S/C27H25N2OS/c1-2-28-23(14-12-21-10-6-7-11-24(21)28)19-27-29(16-17-30)25-18-22(13-15-26(25)31-27)20-8-4-3-5-9-20/h3-15,18-19,30H,2,16-17H2,1H3/q+1