N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide Openeye Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide CAS Name: 2-(3-hydroxy-1-pyridin-1-iumyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide IUPAC Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Traditional Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Formula: C21H18N3O2S+ MolecularWeight: 376.45152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[N+]4=CC=CC(=C4)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[N+]4=CC=CC(=C4)O

InChI

InChI=1S/C21H17N3O2S/c1-14-4-9-18-19(11-14)27-21(23-18)15-5-7-16(8-6-15)22-20(26)13-24-10-2-3-17(25)12-24/h2-12H,13H2,1H3,(H-,22,23,25,26)/p+1