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

Systemtic Name: 3-[(2S)-6-piperidin-1-ium-1-ylhex-4-yn-2-yl]oxypropanenitrile Openeye Name: 3-[(1S)-1-methyl-5-piperidin-1-ium-1-yl-pent-3-ynoxy]propanenitrile CAS Name: 3-[(2S)-6-(1-piperidin-1-iumyl)hex-4-yn-2-yl]oxypropanenitrile IUPAC Name: 3-[(2S)-6-piperidin-1-ium-1-ylhex-4-yn-2-yl]oxypropanenitrile Traditional Name: 3-[(1S)-1-methyl-5-piperidin-1-ium-1-yl-pent-3-ynoxy]propionitrile Formula: C14H23N2O+ MolecularWeight: 235.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#CC[NH+]1CCCCC1)OCCC#N

Isomeric SMILES

C[C@@H](CC#CC[NH+]1CCCCC1)OCCC#N

InChI

InChI=1S/C14H22N2O/c1-14(17-13-7-9-15)8-3-6-12-16-10-4-2-5-11-16/h14H,2,4-5,7-8,10-13H2,1H3/p+1/t14-/m0/s1