2-methoxy-6-nitro-4-[(2R)-4-oxidanylidene-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-2-yl]phenolate

Systemtic Name: 2-methoxy-6-nitro-4-[(2R)-4-oxidanylidene-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-2-yl]phenolate Openeye Name: 2-methoxy-6-nitro-4-[(2R)-4-oxo-3-(2-piperidin-1-ium-1-ylethyl)thiazolidin-2-yl]phenolate CAS Name: 2-methoxy-6-nitro-4-[(2R)-4-oxo-3-[2-(1-piperidin-1-iumyl)ethyl]-2-thiazolidinyl]phenolate IUPAC Name: 2-methoxy-6-nitro-4-[(2R)-4-oxo-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-2-yl]phenolate Traditional Name: 4-[(2R)-4-keto-3-(2-piperidin-1-ium-1-ylethyl)thiazolidin-2-yl]-2-methoxy-6-nitro-phenolate Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2N(C(=O)CS2)CC[NH+]3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@@H]2N(C(=O)CS2)CC[NH+]3CCCCC3

InChI

InChI=1S/C17H23N3O5S/c1-25-14-10-12(9-13(16(14)22)20(23)24)17-19(15(21)11-26-17)8-7-18-5-3-2-4-6-18/h9-10,17,22H,2-8,11H2,1H3/t17-/m1/s1