O-[2-[(2R,6S)-6-pyridin-3-ylpiperidin-1-ium-2-yl]ethyl] N-prop-2-enylcarbamothioate

Systemtic Name: O-[2-[(2R,6S)-6-pyridin-3-ylpiperidin-1-ium-2-yl]ethyl] N-prop-2-enylcarbamothioate Openeye Name: O-[2-[(2R,6S)-6-(3-pyridyl)piperidin-1-ium-2-yl]ethyl] N-allylcarbamothioate CAS Name: N-prop-2-enylcarbamothioic acid O-[2-[(2R,6S)-6-(3-pyridinyl)-2-piperidin-1-iumyl]ethyl] ester IUPAC Name: O-[2-[(2R,6S)-6-pyridin-3-ylpiperidin-1-ium-2-yl]ethyl] N-prop-2-enylcarbamothioate Traditional Name: N-allylthiocarbamic acid O-[2-[(2R,6S)-6-(3-pyridyl)piperidin-1-ium-2-yl]ethyl] ester Formula: C16H24N3OS+ MolecularWeight: 306.44626

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)OCCC1CCCC([NH2+]1)C2=CN=CC=C2

Isomeric SMILES

C=CCNC(=S)OCC[C@H]1CCC[C@H]([NH2+]1)C2=CN=CC=C2

InChI

InChI=1S/C16H23N3OS/c1-2-9-18-16(21)20-11-8-14-6-3-7-15(19-14)13-5-4-10-17-12-13/h2,4-5,10,12,14-15,19H,1,3,6-9,11H2,(H,18,21)/p+1/t14-,15+/m1/s1