4,4-dimethyl-6-[4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one

Systemtic Name: 4,4-dimethyl-6-[4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Openeye Name: 4,4-dimethyl-6-[4-(1-oxidopyridin-1-ium-2-yl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one CAS Name: 4,4-dimethyl-6-[4-[(1-oxido-2-pyridin-1-iumyl)thio]butoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 4,4-dimethyl-6-[4-(1-oxidopyridin-1-ium-2-yl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Traditional Name: 4,4-dimethyl-6-[4-[(1-oxidopyridin-1-ium-2-yl)thio]butoxy]-1H-3,1-benzoxazin-2-one Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OCCCCSC3=CC=CC=[N+]3[O-])NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OCCCCSC3=CC=CC=[N+]3[O-])NC(=O)O1)C

InChI

InChI=1S/C19H22N2O4S/c1-19(2)15-13-14(8-9-16(15)20-18(22)25-19)24-11-5-6-12-26-17-7-3-4-10-21(17)23/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,20,22)