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

Systemtic Name: N-[(2Z)-3-ethyl-2-[(1-pentylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[(2Z)-3-ethyl-2-[(1-pentylquinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-6-yl]acetamide CAS Name: N-[(2Z)-3-ethyl-2-[(1-pentyl-2-quinolin-1-iumyl)methylidene]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: N-[(2Z)-3-ethyl-2-[(1-pentylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[(2Z)-2-[(1-amylquinolin-1-ium-2-yl)methylene]-3-ethyl-1,3-benzothiazol-6-yl]acetamide Formula: C26H30N3OS+ MolecularWeight: 432.6009

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1=C(C=CC2=CC=CC=C21)C=C3N(C4=C(S3)C=C(C=C4)NC(=O)C)CC

Isomeric SMILES

CCCCC[N+]1=C(C=CC2=CC=CC=C21)/C=C\3/N(C4=C(S3)C=C(C=C4)NC(=O)C)CC

InChI

InChI=1S/C26H29N3OS/c1-4-6-9-16-29-22(14-12-20-10-7-8-11-23(20)29)18-26-28(5-2)24-15-13-21(27-19(3)30)17-25(24)31-26/h7-8,10-15,17-18H,4-6,9,16H2,1-3H3/p+1