2-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]sulfonylethanenitrile

Systemtic Name: 2-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]sulfonylethanenitrile Openeye Name: 2-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]sulfonylacetonitrile CAS Name: 2-[[(1S)-2-(4-morpholin-4-iumyl)-1-cyclohex-2-enyl]sulfonyl]acetonitrile IUPAC Name: 2-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]sulfonylacetonitrile Traditional Name: 2-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]sulfonylacetonitrile Formula: C12H19N2O3S+ MolecularWeight: 271.35586

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C(C1)S(=O)(=O)CC#N)[NH+]2CCOCC2

Isomeric SMILES

C1CC=C([C@H](C1)S(=O)(=O)CC#N)[NH+]2CCOCC2

InChI

InChI=1S/C12H18N2O3S/c13-5-10-18(15,16)12-4-2-1-3-11(12)14-6-8-17-9-7-14/h3,12H,1-2,4,6-10H2/p+1/t12-/m0/s1