(2E)-2-[(1-butylquinolin-1-ium-2-yl)methylidene]-3-ethyl-1,3-benzothiazole

Systemtic Name: (2E)-2-[(1-butylquinolin-1-ium-2-yl)methylidene]-3-ethyl-1,3-benzothiazole Openeye Name: (2E)-2-[(1-butylquinolin-1-ium-2-yl)methylene]-3-ethyl-1,3-benzothiazole CAS Name: (2E)-2-[(1-butyl-2-quinolin-1-iumyl)methylidene]-3-ethyl-1,3-benzothiazole IUPAC Name: (2E)-2-[(1-butylquinolin-1-ium-2-yl)methylidene]-3-ethyl-1,3-benzothiazole Traditional Name: (2E)-2-[(1-butylquinolin-1-ium-2-yl)methylene]-3-ethyl-1,3-benzothiazole Formula: C23H25N2S+ MolecularWeight: 361.523

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=CC2=CC=CC=C21)C=C3N(C4=CC=CC=C4S3)CC

Isomeric SMILES

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

InChI

InChI=1S/C23H25N2S/c1-3-5-16-25-19(15-14-18-10-6-7-11-20(18)25)17-23-24(4-2)21-12-8-9-13-22(21)26-23/h6-15,17H,3-5,16H2,1-2H3/q+1