[nitro(phenyl)methyl] 1-[1-oxidanylidene-1-(4-oxidanylideneazetidin-2-yl)sulfanyl-butan-2-ylidene]piperidin-1-ium-4-carboxylate

Systemtic Name: [nitro(phenyl)methyl] 1-[1-oxidanylidene-1-(4-oxidanylideneazetidin-2-yl)sulfanyl-butan-2-ylidene]piperidin-1-ium-4-carboxylate Openeye Name: [nitro(phenyl)methyl] 1-[1-(4-oxoazetidin-2-yl)sulfanylcarbonylpropylidene]piperidin-1-ium-4-carboxylate CAS Name: 1-[1-oxo-1-[(4-oxo-2-azetidinyl)thio]butan-2-ylidene]-4-piperidin-1-iumcarboxylic acid [nitro(phenyl)methyl] ester IUPAC Name: [nitro(phenyl)methyl] 1-[1-oxo-1-(4-oxoazetidin-2-yl)sulfanylbutan-2-ylidene]piperidin-1-ium-4-carboxylate Traditional Name: 1-[1-[(4-ketoazetidin-2-yl)thio]carbonylpropylidene]piperidin-1-ium-4-carboxylic acid [nitro(phenyl)methyl] ester Formula: C20H24N3O6S+ MolecularWeight: 434.48606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=[N+]1CCC(CC1)C(=O)OC(C2=CC=CC=C2)[N+](=O)[O-])C(=O)SC3CC(=O)N3

Isomeric SMILES

CCC(=[N+]1CCC(CC1)C(=O)OC(C2=CC=CC=C2)[N+](=O)[O-])C(=O)SC3CC(=O)N3

InChI

InChI=1S/C20H23N3O6S/c1-2-15(20(26)30-17-12-16(24)21-17)22-10-8-14(9-11-22)19(25)29-18(23(27)28)13-6-4-3-5-7-13/h3-7,14,17-18H,2,8-12H2,1H3/p+1