azanyloxymethyl 4,6-dimethyl-3-methylsulfanyl-2-(1-oxidanylidenepyrazol-1-ium-4-yl)-2-pyridin-2-yl-bicyclo[3.1.1]hept-5-ene-4-carboxylate

Systemtic Name: azanyloxymethyl 4,6-dimethyl-3-methylsulfanyl-2-(1-oxidanylidenepyrazol-1-ium-4-yl)-2-pyridin-2-yl-bicyclo[3.1.1]hept-5-ene-4-carboxylate Openeye Name: aminooxymethyl 4,6-dimethyl-3-methylsulfanyl-2-(1-oxopyrazol-1-ium-4-yl)-2-(2-pyridyl)bicyclo[3.1.1]hept-5-ene-4-carboxylate CAS Name: 4,6-dimethyl-3-(methylthio)-2-(1-oxo-4-pyrazol-1-iumyl)-2-(2-pyridinyl)-4-bicyclo[3.1.1]hept-5-enecarboxylic acid aminooxymethyl ester IUPAC Name: aminooxymethyl 4,6-dimethyl-3-methylsulfanyl-2-(1-oxopyrazol-1-ium-4-yl)-2-pyridin-2-ylbicyclo[3.1.1]hept-5-ene-4-carboxylate Traditional Name: 2-(1-ketopyrazol-1-ium-4-yl)-4,6-dimethyl-3-(methylthio)-2-(2-pyridyl)bicyclo[3.1.1]hept-5-ene-4-carboxylic acid aminooxymethyl ester Formula: C20H23N4O4S+ MolecularWeight: 415.48602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC1C(C(C2(C)C(=O)OCON)SC)(C3=CC=CC=N3)C4=C[N+](=O)N=C4

Isomeric SMILES

CC1=C2CC1C(C(C2(C)C(=O)OCON)SC)(C3=CC=CC=N3)C4=C[N+](=O)N=C4

InChI

InChI=1S/C20H23N4O4S/c1-12-14-8-15(12)20(13-9-23-24(26)10-13,16-6-4-5-7-22-16)17(29-3)19(14,2)18(25)27-11-28-21/h4-7,9-10,15,17H,8,11,21H2,1-3H3/q+1