cobalt; nitric acid; O-[2-(6-pyridin-3-ylpiperidin-2-yl)ethyl] N-prop-2-enylcarbamothioate; hexahydrate

Systemtic Name: cobalt; nitric acid; O-[2-(6-pyridin-3-ylpiperidin-2-yl)ethyl] N-prop-2-enylcarbamothioate; hexahydrate Openeye Name: cobalt; nitric acid; O-[2-[6-(3-pyridyl)-2-piperidyl]ethyl] N-allylcarbamothioate; hexahydrate CAS Name: cobalt; nitric acid; N-prop-2-enylcarbamothioic acid O-[2-[6-(3-pyridinyl)-2-piperidinyl]ethyl] ester; hexahydrate IUPAC Name: cobalt; nitric acid; O-[2-(6-pyridin-3-ylpiperidin-2-yl)ethyl] N-prop-2-enylcarbamothioate; hexahydrate Traditional Name: N-allylthiocarbamic acid O-[2-[6-(3-pyridyl)-2-piperidyl]ethyl] ester; cobalt; nitric acid; hexahydrate Formula: C16H37CoN5O13S MolecularWeight: 598.48888

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)OCCC1CCCC(N1)C2=CN=CC=C2.[N+](=O)(O)[O-].[N+](=O)(O)[O-].O.O.O.O.O.O.[Co]

Isomeric SMILES

C=CCNC(=S)OCCC1CCCC(N1)C2=CN=CC=C2.[N+](=O)(O)[O-].[N+](=O)(O)[O-].O.O.O.O.O.O.[Co]

InChI

InChI=1S/C16H23N3OS.Co.2HNO3.6H2O/c1-2-9-18-16(21)20-11-8-14-6-3-7-15(19-14)13-5-4-10-17-12-13;;2*2-1(3)4;;;;;;/h2,4-5,10,12,14-15,19H,1,3,6-9,11H2,(H,18,21);;2*(H,2,3,4);6*1H2