3-[(3R)-2,3-dimethyl-6-piperidin-1-ium-1-yl-hex-1-en-4-yn-3-yl]oxypropanenitrile

Systemtic Name: 3-[(3R)-2,3-dimethyl-6-piperidin-1-ium-1-yl-hex-1-en-4-yn-3-yl]oxypropanenitrile Openeye Name: 3-[(1R)-1-isopropenyl-1-methyl-4-piperidin-1-ium-1-yl-but-2-ynoxy]propanenitrile CAS Name: 3-[(3R)-2,3-dimethyl-6-(1-piperidin-1-iumyl)hex-1-en-4-yn-3-yl]oxypropanenitrile IUPAC Name: 3-[(3R)-2,3-dimethyl-6-piperidin-1-ium-1-ylhex-1-en-4-yn-3-yl]oxypropanenitrile Traditional Name: 3-[(1R)-1-isopropenyl-1-methyl-4-piperidin-1-ium-1-yl-but-2-ynoxy]propionitrile Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O/c1-15(2)16(3,19-14-8-10-17)9-7-13-18-11-5-4-6-12-18/h1,4-6,8,11-14H2,2-3H3/p+1/t16-/m0/s1