2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-1,3-oxazol-5-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-1,3-oxazol-5-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-oxazol-5-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-5-oxazolyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-oxazol-5-yl]amino]ethyl-dimethyl-ammonium Formula: C21H24N3O5S+ MolecularWeight: 430.49736

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=C(N=C(O1)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[NH+](C)CCNC1=C(N=C(O1)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23N3O5S/c1-24(2)11-10-22-20-21(23-19(29-20)15-6-4-3-5-7-15)30(25,26)16-8-9-17-18(14-16)28-13-12-27-17/h3-9,14,22H,10-13H2,1-2H3/p+1