2-(carboxymethylsulfanyl)ethanoic acid; copper; 6-(6-piperidin-1-id-2-ylpiperidin-1-id-2-yl)-2H-pyridin-1-ide; hydrate

Systemtic Name: 2-(carboxymethylsulfanyl)ethanoic acid; copper; 6-(6-piperidin-1-id-2-ylpiperidin-1-id-2-yl)-2H-pyridin-1-ide; hydrate Openeye Name: 2-(carboxymethylsulfanyl)acetic acid; copper; 6-(6-piperidin-1-id-2-ylpiperidin-1-id-2-yl)-2H-pyridin-1-ide; hydrate CAS Name: 2-(carboxymethylthio)acetic acid; copper; 6-[6-(2-piperidin-1-idyl)-2-piperidin-1-idyl]-2H-pyridin-1-ide; hydrate IUPAC Name: 2-(carboxymethylsulfanyl)acetic acid; copper; 6-(6-piperidin-1-id-2-ylpiperidin-1-id-2-yl)-2H-pyridin-1-ide; hydrate Traditional Name: 2-(carboxymethylthio)acetic acid; copper; 6-(6-piperidin-1-id-2-ylpiperidin-1-id-2-yl)-2H-pyridin-1-ide; hydrate Formula: C19H30Cu2N3O5S-3 MolecularWeight: 539.6156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N-]C(C1)C2CCCC([N-]2)C3=CC=CC[N-]3.C(C(=O)O)SCC(=O)O.O.[Cu].[Cu]

Isomeric SMILES

C1CC[N-]C(C1)C2CCCC([N-]2)C3=CC=CC[N-]3.C(C(=O)O)SCC(=O)O.O.[Cu].[Cu]

InChI

InChI=1S/C15H22N3.C4H6O4S.2Cu.H2O/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;5-3(6)1-9-2-4(7)8;;;/h1,3,6,13-15H,2,4-5,7-11H2;1-2H2,(H,5,6)(H,7,8);;;1H2/q-3;;;;