2-[(6-ethoxy-1-ethyl-quinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole

Systemtic Name: 2-[(6-ethoxy-1-ethyl-quinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole Openeye Name: 2-[(6-ethoxy-1-ethyl-quinolin-1-ium-2-yl)methylene]-3-methyl-1,3-benzothiazole CAS Name: 2-[(6-ethoxy-1-ethyl-2-quinolin-1-iumyl)methylidene]-3-methyl-1,3-benzothiazole IUPAC Name: 2-[(6-ethoxy-1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole Traditional Name: 2-[(6-ethoxy-1-ethyl-quinolin-1-ium-2-yl)methylene]-3-methyl-1,3-benzothiazole Formula: C22H23N2OS+ MolecularWeight: 363.49582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N2OS/c1-4-24-17(11-10-16-14-18(25-5-2)12-13-19(16)24)15-22-23(3)20-8-6-7-9-21(20)26-22/h6-15H,4-5H2,1-3H3/q+1