4-[4-cyano-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazol-2-yl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 4-[4-cyano-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazol-2-yl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-[4-cyano-5-(3-morpholin-4-ium-4-ylpropylamino)oxazol-2-yl]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[4-cyano-5-[3-(4-morpholin-4-iumyl)propylamino]-2-oxazolyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-[4-cyano-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[4-cyano-5-(3-morpholin-4-ium-4-ylpropylamino)oxazol-2-yl]-N,N-dimethyl-benzenesulfonamide Formula: C19H26N5O4S+ MolecularWeight: 420.50584

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=NC(=C(O2)NCCC[NH+]3CCOCC3)C#N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=NC(=C(O2)NCCC[NH+]3CCOCC3)C#N

InChI

InChI=1S/C19H25N5O4S/c1-23(2)29(25,26)16-6-4-15(5-7-16)18-22-17(14-20)19(28-18)21-8-3-9-24-10-12-27-13-11-24/h4-7,21H,3,8-13H2,1-2H3/p+1