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

Systemtic Name: 3-[(2E)-2-[(1,6-dimethyl-2-phenyl-quinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]propan-1-ol Openeye Name: 3-[(2E)-2-[(1,6-dimethyl-2-phenyl-quinolin-1-ium-4-yl)methylene]-1,3-benzothiazol-3-yl]propan-1-ol CAS Name: 3-[(2E)-2-[(1,6-dimethyl-2-phenyl-4-quinolin-1-iumyl)methylidene]-1,3-benzothiazol-3-yl]-1-propanol IUPAC Name: 3-[(2E)-2-[(1,6-dimethyl-2-phenylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]propan-1-ol Traditional Name: 3-[(2E)-2-[(1,6-dimethyl-2-phenyl-quinolin-1-ium-4-yl)methylene]-1,3-benzothiazol-3-yl]propan-1-ol Formula: C28H27N2OS+ MolecularWeight: 439.59178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N2OS/c1-20-13-14-24-23(17-20)22(18-26(29(24)2)21-9-4-3-5-10-21)19-28-30(15-8-16-31)25-11-6-7-12-27(25)32-28/h3-7,9-14,17-19,31H,8,15-16H2,1-2H3/q+1