(2E)-6-chloranyl-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole

Systemtic Name: (2E)-6-chloranyl-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole Openeye Name: (2E)-6-chloro-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazole CAS Name: (2E)-6-chloro-3-methyl-2-[(1-methyl-4-quinolin-1-iumyl)methylidene]-1,3-benzothiazole IUPAC Name: (2E)-6-chloro-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole Traditional Name: (2E)-6-chloro-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazole Formula: C19H16ClN2S+ MolecularWeight: 339.86174

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)SC1=CC3=CC=[N+](C4=CC=CC=C34)C

Isomeric SMILES

CN\1C2=C(C=C(C=C2)Cl)S/C1=C/C3=CC=[N+](C4=CC=CC=C34)C

InChI

InChI=1S/C19H16ClN2S/c1-21-10-9-13(15-5-3-4-6-16(15)21)11-19-22(2)17-8-7-14(20)12-18(17)23-19/h3-12H,1-2H3/q+1