N-[2-(6-methoxy-3-oxidanylidene-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]pyridine-4-carboxamide

Systemtic Name: N-[2-(6-methoxy-3-oxidanylidene-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]pyridine-4-carboxamide Openeye Name: N-[2-(6-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]pyridine-4-carboxamide CAS Name: N-[2-(6-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-4-pyridinecarboxamide IUPAC Name: N-[2-(6-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]pyridine-4-carboxamide Traditional Name: N-[2-(3-keto-6-methoxy-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]isonicotinamide Formula: C16H16N3O3S+ MolecularWeight: 330.38154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=O)C(S2)CCNC(=O)C3=CC=NC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=O)C(S2)CCNC(=O)C3=CC=NC=C3

InChI

InChI=1S/C16H15N3O3S/c1-22-12-2-3-13-14(10-12)23-15(19(13)21)6-9-18-16(20)11-4-7-17-8-5-11/h2-5,7-8,10,15H,6,9H2,1H3/p+1