2-tert-butyl-4-[3-(1-oxidanidylpyridin-1-ium-3-yl)oxypropylamino]-1,1-bis(oxidanylidene)-5-phenyl-1,2-thiazol-3-one

Systemtic Name: 2-tert-butyl-4-[3-(1-oxidanidylpyridin-1-ium-3-yl)oxypropylamino]-1,1-bis(oxidanylidene)-5-phenyl-1,2-thiazol-3-one Openeye Name: 2-tert-butyl-4-[3-(1-oxidopyridin-1-ium-3-yl)oxypropylamino]-1,1-dioxo-5-phenyl-isothiazol-3-one CAS Name: 2-tert-butyl-4-[3-[(1-oxido-3-pyridin-1-iumyl)oxy]propylamino]-1,1-dioxo-5-phenyl-3-isothiazolone IUPAC Name: 2-tert-butyl-4-[3-(1-oxidopyridin-1-ium-3-yl)oxypropylamino]-1,1-dioxo-5-phenyl-1,2-thiazol-3-one Traditional Name: 2-tert-butyl-1,1-diketo-4-[3-(1-oxidopyridin-1-ium-3-yl)oxypropylamino]-5-phenyl-isothiazol-3-one Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NCCCOC3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NCCCOC3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-21(2,3)24-20(25)18(19(30(24,27)28)16-9-5-4-6-10-16)22-12-8-14-29-17-11-7-13-23(26)15-17/h4-7,9-11,13,15,22H,8,12,14H2,1-3H3