O-[2-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]ethyl] N-prop-2-enylcarbamothioate

Systemtic Name: O-[2-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]ethyl] N-prop-2-enylcarbamothioate Openeye Name: O-[2-[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]ethyl] N-allylcarbamothioate CAS Name: N-prop-2-enylcarbamothioic acid O-[2-[(2R)-2-(3-pyridinyl)-1-piperidin-1-iumyl]ethyl] ester IUPAC Name: O-[2-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]ethyl] N-prop-2-enylcarbamothioate Traditional Name: N-allylthiocarbamic acid O-[2-[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]ethyl] ester Formula: C16H24N3OS+ MolecularWeight: 306.44626

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)OCC[NH+]1CCCCC1C2=CN=CC=C2

Isomeric SMILES

C=CCNC(=S)OCC[NH+]1CCCC[C@@H]1C2=CN=CC=C2

InChI

InChI=1S/C16H23N3OS/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)/p+1/t15-/m1/s1