(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole iodide

Systemtic Name: (2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole iodide Openeye Name: (2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-3-methyl-1,3-benzothiazole iodide CAS Name: (2Z)-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]-3-methyl-1,3-benzothiazole iodide IUPAC Name: (2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole iodide Traditional Name: (2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-3-methyl-1,3-benzothiazole iodide Formula: C20H19IN2S MolecularWeight: 446.34773

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=CC=CC=C21)C=C3N(C4=CC=CC=C4S3)C.[I-]

Isomeric SMILES

CC[N+]1=C(C=CC2=CC=CC=C21)/C=C\3/N(C4=CC=CC=C4S3)C.[I-]

InChI

InChI=1S/C20H19N2S.HI/c1-3-22-16(13-12-15-8-4-5-9-17(15)22)14-20-21(2)18-10-6-7-11-19(18)23-20;/h4-14H,3H2,1-2H3;1H/q+1;/p-1