3-methyl-2-[2-[(1-methylquinolin-1-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole

Systemtic Name: 3-methyl-2-[2-[(1-methylquinolin-1-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole Openeye Name: 3-methyl-2-[2-[(1-methylquinolin-1-ium-2-yl)methylene]butylidene]-1,3-benzothiazole CAS Name: 3-methyl-2-[2-[(1-methyl-2-quinolin-1-iumyl)methylidene]butylidene]-1,3-benzothiazole IUPAC Name: 3-methyl-2-[2-[(1-methylquinolin-1-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole Traditional Name: 2-[2-ethyl-3-(1-methylquinolin-1-ium-2-yl)prop-2-enylidene]-3-methyl-1,3-benzothiazole Formula: C23H23N2S+ MolecularWeight: 359.50712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=CC=CC=C2C=C1)C)C=C3N(C4=CC=CC=C4S3)C

Isomeric SMILES

CCC(=CC1=[N+](C2=CC=CC=C2C=C1)C)C=C3N(C4=CC=CC=C4S3)C

InChI

InChI=1S/C23H23N2S/c1-4-17(16-23-25(3)21-11-7-8-12-22(21)26-23)15-19-14-13-18-9-5-6-10-20(18)24(19)2/h5-16H,4H2,1-3H3/q+1