3-[(2S)-6-pyrrolidin-1-ium-1-ylhex-4-yn-2-yl]oxypropanenitrile

Systemtic Name: 3-[(2S)-6-pyrrolidin-1-ium-1-ylhex-4-yn-2-yl]oxypropanenitrile Openeye Name: 3-[(1S)-1-methyl-5-pyrrolidin-1-ium-1-yl-pent-3-ynoxy]propanenitrile CAS Name: 3-[(2S)-6-(1-pyrrolidin-1-iumyl)hex-4-yn-2-yl]oxypropanenitrile IUPAC Name: 3-[(2S)-6-pyrrolidin-1-ium-1-ylhex-4-yn-2-yl]oxypropanenitrile Traditional Name: 3-[(1S)-1-methyl-5-pyrrolidin-1-ium-1-yl-pent-3-ynoxy]propionitrile Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O/c1-13(16-12-6-8-14)7-2-3-9-15-10-4-5-11-15/h13H,4-7,9-12H2,1H3/p+1/t13-/m0/s1