3-(2-methyl-5-pyrrolidin-1-ium-1-yl-pent-3-yn-2-yl)oxypropanenitrile

Systemtic Name: 3-(2-methyl-5-pyrrolidin-1-ium-1-yl-pent-3-yn-2-yl)oxypropanenitrile Openeye Name: 3-(1,1-dimethyl-4-pyrrolidin-1-ium-1-yl-but-2-ynoxy)propanenitrile CAS Name: 3-[2-methyl-5-(1-pyrrolidin-1-iumyl)pent-3-yn-2-yl]oxypropanenitrile IUPAC Name: 3-(2-methyl-5-pyrrolidin-1-ium-1-ylpent-3-yn-2-yl)oxypropanenitrile Traditional Name: 3-(1,1-dimethyl-4-pyrrolidin-1-ium-1-yl-but-2-ynoxy)propionitrile Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC[NH+]1CCCC1)OCCC#N

Isomeric SMILES

CC(C)(C#CC[NH+]1CCCC1)OCCC#N

InChI

InChI=1S/C13H20N2O/c1-13(2,16-12-6-8-14)7-5-11-15-9-3-4-10-15/h3-4,6,9-12H2,1-2H3/p+1