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

Systemtic Name: N-[(2Z)-3-butyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[(2Z)-3-butyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazol-6-yl]acetamide CAS Name: N-[(2Z)-3-butyl-2-[(1-methyl-2-pyridin-1-iumyl)methylidene]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: N-[(2Z)-3-butyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[(2Z)-3-butyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazol-6-yl]acetamide Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)NC(=O)C)SC1=CC3=CC=CC=[N+]3C

Isomeric SMILES

CCCCN\1C2=C(C=C(C=C2)NC(=O)C)S/C1=C\C3=CC=CC=[N+]3C

InChI

InChI=1S/C20H23N3OS/c1-4-5-12-23-18-10-9-16(21-15(2)24)13-19(18)25-20(23)14-17-8-6-7-11-22(17)3/h6-11,13-14H,4-5,12H2,1-3H3/p+1