(2Z)-2-[(1-ethyl-7-methyl-quinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole iodide

Systemtic Name: (2Z)-2-[(1-ethyl-7-methyl-quinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole iodide Openeye Name: (2Z)-2-[(1-ethyl-7-methyl-quinolin-1-ium-2-yl)methylene]-3-methyl-1,3-benzothiazole iodide CAS Name: (2Z)-2-[(1-ethyl-7-methyl-2-quinolin-1-iumyl)methylidene]-3-methyl-1,3-benzothiazole iodide IUPAC Name: (2Z)-2-[(1-ethyl-7-methylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole iodide Traditional Name: (2Z)-2-[(1-ethyl-7-methyl-quinolin-1-ium-2-yl)methylene]-3-methyl-1,3-benzothiazole iodide Formula: C21H21IN2S MolecularWeight: 460.37431

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=C1C=C(C=C2)C)C=C3N(C4=CC=CC=C4S3)C.[I-]

Isomeric SMILES

CC[N+]1=C(C=CC2=C1C=C(C=C2)C)/C=C\3/N(C4=CC=CC=C4S3)C.[I-]

InChI

InChI=1S/C21H21N2S.HI/c1-4-23-17(12-11-16-10-9-15(2)13-19(16)23)14-21-22(3)18-7-5-6-8-20(18)24-21;/h5-14H,4H2,1-3H3;1H/q+1;/p-1