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

Systemtic Name: 2-[[4-cyano-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazol-5-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-cyano-2-(4-pyrrolidin-1-ylsulfonylphenyl)oxazol-5-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-cyano-2-[4-(1-pyrrolidinylsulfonyl)phenyl]-5-oxazolyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-cyano-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-cyano-2-(4-pyrrolidinosulfonylphenyl)oxazol-5-yl]amino]ethyl-dimethyl-ammonium Formula: C18H24N5O3S+ MolecularWeight: 390.47986

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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)N3CCCC3)C#N

Isomeric SMILES

C[NH+](C)CCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C#N

InChI

InChI=1S/C18H23N5O3S/c1-22(2)12-9-20-18-16(13-19)21-17(26-18)14-5-7-15(8-6-14)27(24,25)23-10-3-4-11-23/h5-8,20H,3-4,9-12H2,1-2H3/p+1