bis(chloranyl)copper; O-[2-(2-pyridin-3-ylpiperidin-1-yl)ethyl] N-prop-2-enylcarbamothioate; dihydrate

Systemtic Name: bis(chloranyl)copper; O-[2-(2-pyridin-3-ylpiperidin-1-yl)ethyl] N-prop-2-enylcarbamothioate; dihydrate Openeye Name: dichlorocopper; O-[2-[2-(3-pyridyl)-1-piperidyl]ethyl] N-allylcarbamothioate; dihydrate CAS Name: dichlorocopper; N-prop-2-enylcarbamothioic acid O-[2-[2-(3-pyridinyl)-1-piperidinyl]ethyl] ester; dihydrate IUPAC Name: dichlorocopper; O-[2-(2-pyridin-3-ylpiperidin-1-yl)ethyl] N-prop-2-enylcarbamothioate; dihydrate Traditional Name: N-allylthiocarbamic acid O-[2-[2-(3-pyridyl)piperidino]ethyl] ester; dichlorocopper; dihydrate Formula: C16H27Cl2CuN3O3S MolecularWeight: 475.92088

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)OCCN1CCCCC1C2=CN=CC=C2.O.O.Cl[Cu]Cl

Isomeric SMILES

C=CCNC(=S)OCCN1CCCCC1C2=CN=CC=C2.O.O.Cl[Cu]Cl

InChI

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