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

Systemtic Name: 3-[[4-cyano-2-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1,3-oxazol-5-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-cyano-2-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]oxazol-5-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-cyano-2-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-5-oxazolyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-cyano-2-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1,3-oxazol-5-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-cyano-2-(4-methoxy-3-piperidinosulfonyl-phenyl)oxazol-5-yl]amino]propyl-dimethyl-ammonium Formula: C21H30N5O4S+ MolecularWeight: 448.559

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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)N3CCCCC3)C#N

Isomeric SMILES

C[NH+](C)CCCNC1=C(N=C(O1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3)C#N

InChI

InChI=1S/C21H29N5O4S/c1-25(2)11-7-10-23-21-17(15-22)24-20(30-21)16-8-9-18(29-3)19(14-16)31(27,28)26-12-5-4-6-13-26/h8-9,14,23H,4-7,10-13H2,1-3H3/p+1