2-[[4-cyano-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazol-5-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-cyano-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazol-5-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-cyano-2-[4-(1-piperidylsulfonyl)phenyl]oxazol-5-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-cyano-2-[4-(1-piperidinylsulfonyl)phenyl]-5-oxazolyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-cyano-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-cyano-2-(4-piperidinosulfonylphenyl)oxazol-5-yl]amino]ethyl-dimethyl-ammonium Formula: C19H26N5O3S+ MolecularWeight: 404.50644

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C#N

Isomeric SMILES

C[NH+](C)CCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C#N

InChI

InChI=1S/C19H25N5O3S/c1-23(2)13-10-21-19-17(14-20)22-18(27-19)15-6-8-16(9-7-15)28(25,26)24-11-4-3-5-12-24/h6-9,21H,3-5,10-13H2,1-2H3/p+1