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

Systemtic Name: N-[(2Z)-3-ethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[(2Z)-3-ethyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazol-6-yl]acetamide CAS Name: N-[(2Z)-3-ethyl-2-[(1-methyl-2-pyridin-1-iumyl)methylidene]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: N-[(2Z)-3-ethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[(2Z)-3-ethyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazol-6-yl]acetamide Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C)SC1=CC3=CC=CC=[N+]3C

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3OS/c1-4-21-16-9-8-14(19-13(2)22)11-17(16)23-18(21)12-15-7-5-6-10-20(15)3/h5-12H,4H2,1-3H3/p+1