(1E)-1-(1,3-benzothiazol-3-ium-3-yl)-1-(1-phenylquinolin-4-ylidene)propan-2-ol

Systemtic Name: (1E)-1-(1,3-benzothiazol-3-ium-3-yl)-1-(1-phenylquinolin-4-ylidene)propan-2-ol Openeye Name: (1E)-1-(1,3-benzothiazol-3-ium-3-yl)-1-(1-phenyl-4-quinolylidene)propan-2-ol CAS Name: (1E)-1-(1,3-benzothiazol-3-ium-3-yl)-1-(1-phenyl-4-quinolinylidene)-2-propanol IUPAC Name: (1E)-1-(1,3-benzothiazol-3-ium-3-yl)-1-(1-phenylquinolin-4-ylidene)propan-2-ol Traditional Name: (1E)-1-(1,3-benzothiazol-3-ium-3-yl)-1-(1-phenyl-4-quinolylidene)propan-2-ol Formula: C25H21N2OS+ MolecularWeight: 397.51204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=C1C=CN(C2=CC=CC=C12)C3=CC=CC=C3)[N+]4=CSC5=CC=CC=C54)O

Isomeric SMILES

CC(/C(=C\1/C=CN(C2=CC=CC=C12)C3=CC=CC=C3)/[N+]4=CSC5=CC=CC=C54)O

InChI

InChI=1S/C25H21N2OS/c1-18(28)25(27-17-29-24-14-8-7-13-23(24)27)21-15-16-26(19-9-3-2-4-10-19)22-12-6-5-11-20(21)22/h2-18,28H,1H3/q+1/b25-21+