(2Z)-3-(6-iodanylhexyl)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole

Systemtic Name: (2Z)-3-(6-iodanylhexyl)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole Openeye Name: (2Z)-3-(6-iodohexyl)-2-[(1-methylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazole CAS Name: (2Z)-3-(6-iodohexyl)-2-[(1-methyl-4-quinolin-1-iumyl)methylidene]-1,3-benzothiazole IUPAC Name: (2Z)-3-(6-iodohexyl)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole Traditional Name: (2Z)-3-(6-iodohexyl)-2-[(1-methylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazole Formula: C24H26IN2S+ MolecularWeight: 501.44611

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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)CCCCCCI

Isomeric SMILES

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

InChI

InChI=1S/C24H26IN2S/c1-26-17-14-19(20-10-4-5-11-21(20)26)18-24-27(16-9-3-2-8-15-25)22-12-6-7-13-23(22)28-24/h4-7,10-14,17-18H,2-3,8-9,15-16H2,1H3/q+1