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

Systemtic Name: 3-[[4-cyano-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazol-5-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-cyano-2-[4-(1-piperidylsulfonyl)phenyl]oxazol-5-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-cyano-2-[4-(1-piperidinylsulfonyl)phenyl]-5-oxazolyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-cyano-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazol-5-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-cyano-2-(4-piperidinosulfonylphenyl)oxazol-5-yl]amino]propyl-dimethyl-ammonium Formula: C20H28N5O3S+ MolecularWeight: 418.53302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O3S/c1-24(2)12-6-11-22-20-18(15-21)23-19(28-20)16-7-9-17(10-8-16)29(26,27)25-13-4-3-5-14-25/h7-10,22H,3-6,11-14H2,1-2H3/p+1