(2Z)-3-ethyl-2-[(1-pentylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole

Systemtic Name: (2Z)-3-ethyl-2-[(1-pentylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole Openeye Name: (2Z)-3-ethyl-2-[(1-pentylquinolin-1-ium-2-yl)methylene]-1,3-benzothiazole CAS Name: (2Z)-3-ethyl-2-[(1-pentyl-2-quinolin-1-iumyl)methylidene]-1,3-benzothiazole IUPAC Name: (2Z)-3-ethyl-2-[(1-pentylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole Traditional Name: (2Z)-2-[(1-amylquinolin-1-ium-2-yl)methylene]-3-ethyl-1,3-benzothiazole Formula: C24H27N2S+ MolecularWeight: 375.54958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N2S/c1-3-5-10-17-26-20(16-15-19-11-6-7-12-21(19)26)18-24-25(4-2)22-13-8-9-14-23(22)27-24/h6-9,11-16,18H,3-5,10,17H2,1-2H3/q+1