N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-oxido-pyridin-1-ium-3-carboxamide Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3=C[N+](=CC=C3)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3=C[N+](=CC=C3)[O-])OC

InChI

InChI=1S/C15H13N3O4S/c1-21-11-6-10-13(7-12(11)22-2)23-15(16-10)17-14(19)9-4-3-5-18(20)8-9/h3-8H,1-2H3,(H,16,17,19)