(2S,4S)-2-(5-nitro-2-piperidin-1-yl-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4S)-2-(5-nitro-2-piperidin-1-yl-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-2-[5-nitro-2-(1-piperidyl)phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-2-[5-nitro-2-(1-piperidinyl)phenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-2-(5-nitro-2-piperidin-1-ylphenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-2-(5-nitro-2-piperidino-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C3[NH2+]C(CS3)C(=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])[C@H]3[NH2+][C@H](CS3)C(=O)[O-]

InChI

InChI=1S/C15H19N3O4S/c19-15(20)12-9-23-14(16-12)11-8-10(18(21)22)4-5-13(11)17-6-2-1-3-7-17/h4-5,8,12,14,16H,1-3,6-7,9H2,(H,19,20)/t12-,14+/m1/s1