3-[2-methyl-5-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]pent-3-yn-2-yl]oxypropanenitrile

Systemtic Name: 3-[2-methyl-5-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]pent-3-yn-2-yl]oxypropanenitrile Openeye Name: 3-[1,1-dimethyl-4-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]but-2-ynoxy]propanenitrile CAS Name: 3-[2-methyl-5-[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]pent-3-yn-2-yl]oxypropanenitrile IUPAC Name: 3-[2-methyl-5-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]pent-3-yn-2-yl]oxypropanenitrile Traditional Name: 3-[1,1-dimethyl-4-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]but-2-ynoxy]propionitrile Formula: C19H26N3O+ MolecularWeight: 312.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC[NH+]1CCCCC1C2=CN=CC=C2)OCCC#N

Isomeric SMILES

CC(C)(C#CC[NH+]1CCCC[C@H]1C2=CN=CC=C2)OCCC#N

InChI

InChI=1S/C19H25N3O/c1-19(2,23-15-7-11-20)10-6-14-22-13-4-3-9-18(22)17-8-5-12-21-16-17/h5,8,12,16,18H,3-4,7,9,13-15H2,1-2H3/p+1/t18-/m0/s1