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

Systemtic Name: 3-[[4-cyano-2-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1,3-oxazol-5-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-cyano-2-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)oxazol-5-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-cyano-2-[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-5-oxazolyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-cyano-2-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazol-5-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-cyano-2-(4-methoxy-3-pyrrolidinosulfonyl-phenyl)oxazol-5-yl]amino]propyl-dimethyl-ammonium Formula: C20H28N5O4S+ MolecularWeight: 434.53242

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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)N3CCCC3)C#N

Isomeric SMILES

C[NH+](C)CCCNC1=C(N=C(O1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3)C#N

InChI

InChI=1S/C20H27N5O4S/c1-24(2)10-6-9-22-20-16(14-21)23-19(29-20)15-7-8-17(28-3)18(13-15)30(26,27)25-11-4-5-12-25/h7-8,13,22H,4-6,9-12H2,1-3H3/p+1