3-[(1-oxidanidylpyridin-1-ium-2-yl)disulfanyl]-2-[(1-oxidanylpiperidin-2-ylidene)amino]propanoic acid

Systemtic Name: 3-[(1-oxidanidylpyridin-1-ium-2-yl)disulfanyl]-2-[(1-oxidanylpiperidin-2-ylidene)amino]propanoic acid Openeye Name: 2-[(1-hydroxy-2-piperidylidene)amino]-3-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]propanoic acid CAS Name: 2-[(1-hydroxy-2-piperidinylidene)amino]-3-[(1-oxido-2-pyridin-1-iumyl)disulfanyl]propanoic acid IUPAC Name: 2-[(1-hydroxypiperidin-2-ylidene)amino]-3-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]propanoic acid Traditional Name: 2-[(1-hydroxy-2-piperidylidene)amino]-3-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]propionic acid Formula: C13H17N3O4S2 MolecularWeight: 343.42178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=NC(CSSC2=CC=CC=[N+]2[O-])C(=O)O)C1)O

Isomeric SMILES

C1CCN(C(=NC(CSSC2=CC=CC=[N+]2[O-])C(=O)O)C1)O

InChI

InChI=1S/C13H17N3O4S2/c17-13(18)10(14-11-5-1-3-7-15(11)19)9-21-22-12-6-2-4-8-16(12)20/h2,4,6,8,10,19H,1,3,5,7,9H2,(H,17,18)