N-(1,3-benzothiazol-2-ylmethyl)-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-1-oxido-pyridin-1-ium-3-carboxamide Formula: C14H11N3O2S MolecularWeight: 285.32104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CNC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CNC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C14H11N3O2S/c18-14(10-4-3-7-17(19)9-10)15-8-13-16-11-5-1-2-6-12(11)20-13/h1-7,9H,8H2,(H,15,18)