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

Systemtic Name: N-[(2Z)-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylidene]-3-pentyl-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[(2Z)-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-3-pentyl-1,3-benzothiazol-6-yl]acetamide CAS Name: N-[(2Z)-2-[(1-ethyl-6-methyl-2-quinolin-1-iumyl)methylidene]-3-pentyl-1,3-benzothiazol-6-yl]acetamide IUPAC Name: N-[(2Z)-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-3-pentyl-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[(2Z)-3-amyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-6-yl]acetamide Formula: C27H32N3OS+ MolecularWeight: 446.62748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=C(C=C2)NC(=O)C)SC1=CC3=[N+](C4=C(C=C3)C=C(C=C4)C)CC

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3OS/c1-5-7-8-15-30-25-14-11-22(28-20(4)31)17-26(25)32-27(30)18-23-12-10-21-16-19(3)9-13-24(21)29(23)6-2/h9-14,16-18H,5-8,15H2,1-4H3/p+1