N-[(2Z)-3-butyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: N-[(2Z)-3-butyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[(2Z)-3-butyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-6-yl]acetamide CAS Name: N-[(2Z)-3-butyl-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: N-[(2Z)-3-butyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[(2Z)-3-butyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-6-yl]acetamide Formula: C25H28N3OS+ MolecularWeight: 418.57432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)NC(=O)C)SC1=CC3=[N+](C4=CC=CC=C4C=C3)CC

Isomeric SMILES

CCCCN\1C2=C(C=C(C=C2)NC(=O)C)S/C1=C\C3=[N+](C4=CC=CC=C4C=C3)CC

InChI

InChI=1S/C25H27N3OS/c1-4-6-15-28-23-14-12-20(26-18(3)29)16-24(23)30-25(28)17-21-13-11-19-9-7-8-10-22(19)27(21)5-2/h7-14,16-17H,4-6,15H2,1-3H3/p+1