2-[(2E)-2-[(1,6-dimethyl-2-phenyl-quinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]ethanol

Systemtic Name: 2-[(2E)-2-[(1,6-dimethyl-2-phenyl-quinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]ethanol Openeye Name: 2-[(2E)-2-[(1,6-dimethyl-2-phenyl-quinolin-1-ium-4-yl)methylene]-1,3-benzothiazol-3-yl]ethanol CAS Name: 2-[(2E)-2-[(1,6-dimethyl-2-phenyl-4-quinolin-1-iumyl)methylidene]-1,3-benzothiazol-3-yl]ethanol IUPAC Name: 2-[(2E)-2-[(1,6-dimethyl-2-phenylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]ethanol Traditional Name: 2-[(2E)-2-[(1,6-dimethyl-2-phenyl-quinolin-1-ium-4-yl)methylene]-1,3-benzothiazol-3-yl]ethanol Formula: C27H25N2OS+ MolecularWeight: 425.5652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=C(C=C2C=C3N(C4=CC=CC=C4S3)CCO)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=C(C=C2/C=C/3\N(C4=CC=CC=C4S3)CCO)C5=CC=CC=C5)C

InChI

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