3-[[4-cyano-2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-1,3-oxazol-5-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-cyano-2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-1,3-oxazol-5-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-cyano-2-(4-methoxy-3-morpholinosulfonyl-phenyl)oxazol-5-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-cyano-2-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-5-oxazolyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-cyano-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1,3-oxazol-5-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-cyano-2-(4-methoxy-3-morpholinosulfonyl-phenyl)oxazol-5-yl]amino]propyl-dimethyl-ammonium Formula: C20H28N5O5S+ MolecularWeight: 450.53182

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=C(N=C(O1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3)C#N

Isomeric SMILES

C[NH+](C)CCCNC1=C(N=C(O1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3)C#N

InChI

InChI=1S/C20H27N5O5S/c1-24(2)8-4-7-22-20-16(14-21)23-19(30-20)15-5-6-17(28-3)18(13-15)31(26,27)25-9-11-29-12-10-25/h5-6,13,22H,4,7-12H2,1-3H3/p+1