(2Z)-3-(5-iodanylpentyl)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole

Systemtic Name: (2Z)-3-(5-iodanylpentyl)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole Openeye Name: (2Z)-3-(5-iodopentyl)-2-[(1-methylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazole CAS Name: (2Z)-3-(5-iodopentyl)-2-[(1-methyl-4-quinolin-1-iumyl)methylidene]-1,3-benzothiazole IUPAC Name: (2Z)-3-(5-iodopentyl)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole Traditional Name: (2Z)-3-(5-iodopentyl)-2-[(1-methylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazole Formula: C23H24IN2S+ MolecularWeight: 487.41953

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C2=CC=CC=C21)C=C3N(C4=CC=CC=C4S3)CCCCCI

Isomeric SMILES

C[N+]1=CC=C(C2=CC=CC=C21)/C=C\3/N(C4=CC=CC=C4S3)CCCCCI

InChI

InChI=1S/C23H24IN2S/c1-25-16-13-18(19-9-3-4-10-20(19)25)17-23-26(15-8-2-7-14-24)21-11-5-6-12-22(21)27-23/h3-6,9-13,16-17H,2,7-8,14-15H2,1H3/q+1