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

Systemtic Name: N-[2-(6-methoxy-3-oxidanylidene-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]pentanamide Openeye Name: N-[2-(6-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]pentanamide CAS Name: N-[2-(6-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]pentanamide IUPAC Name: N-[2-(6-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]pentanamide Traditional Name: N-[2-(3-keto-6-methoxy-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]valeramide Formula: C15H21N2O3S+ MolecularWeight: 309.40384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCCC1[N+](=O)C2=C(S1)C=C(C=C2)OC

Isomeric SMILES

CCCCC(=O)NCCC1[N+](=O)C2=C(S1)C=C(C=C2)OC

InChI

InChI=1S/C15H20N2O3S/c1-3-4-5-14(18)16-9-8-15-17(19)12-7-6-11(20-2)10-13(12)21-15/h6-7,10,15H,3-5,8-9H2,1-2H3/p+1