3-[(2S)-6-morpholin-4-ium-4-ylhex-4-yn-2-yl]oxypropanenitrile

Systemtic Name: 3-[(2S)-6-morpholin-4-ium-4-ylhex-4-yn-2-yl]oxypropanenitrile Openeye Name: 3-[(1S)-1-methyl-5-morpholin-4-ium-4-yl-pent-3-ynoxy]propanenitrile CAS Name: 3-[(2S)-6-(4-morpholin-4-iumyl)hex-4-yn-2-yl]oxypropanenitrile IUPAC Name: 3-[(2S)-6-morpholin-4-ium-4-ylhex-4-yn-2-yl]oxypropanenitrile Traditional Name: 3-[(1S)-1-methyl-5-morpholin-4-ium-4-yl-pent-3-ynoxy]propionitrile Formula: C13H21N2O2+ MolecularWeight: 237.31804

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#CC[NH+]1CCOCC1)OCCC#N

Isomeric SMILES

C[C@@H](CC#CC[NH+]1CCOCC1)OCCC#N

InChI

InChI=1S/C13H20N2O2/c1-13(17-10-4-6-14)5-2-3-7-15-8-11-16-12-9-15/h13H,4-5,7-12H2,1H3/p+1/t13-/m0/s1