3-(2-methyl-5-morpholin-4-ium-4-yl-pent-3-yn-2-yl)oxypropanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2/c1-13(2,17-10-4-6-14)5-3-7-15-8-11-16-12-9-15/h4,7-12H2,1-2H3/p+1