(2Z)-2-[(7-methoxy-1-phenyl-quinolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole

Systemtic Name: (2Z)-2-[(7-methoxy-1-phenyl-quinolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole Openeye Name: (2Z)-2-[(7-methoxy-1-phenyl-quinolin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole CAS Name: (2Z)-2-[(7-methoxy-1-phenyl-4-quinolin-1-iumyl)methylidene]-3-methyl-1,3-benzothiazole IUPAC Name: (2Z)-2-[(7-methoxy-1-phenylquinolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole Traditional Name: (2Z)-2-[(7-methoxy-1-phenyl-quinolin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole Formula: C25H21N2OS+ MolecularWeight: 397.51204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=CC3=C4C=CC(=CC4=[N+](C=C3)C5=CC=CC=C5)OC

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C\C3=C4C=CC(=CC4=[N+](C=C3)C5=CC=CC=C5)OC

InChI

InChI=1S/C25H21N2OS/c1-26-22-10-6-7-11-24(22)29-25(26)16-18-14-15-27(19-8-4-3-5-9-19)23-17-20(28-2)12-13-21(18)23/h3-17H,1-2H3/q+1