3-[4-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]but-2-ynoxy]propanenitrile

Systemtic Name: 3-[4-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]but-2-ynoxy]propanenitrile Openeye Name: 3-[4-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]but-2-ynoxy]propanenitrile CAS Name: 3-[4-[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]but-2-ynoxy]propanenitrile IUPAC Name: 3-[4-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]but-2-ynoxy]propanenitrile Traditional Name: 3-[4-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]but-2-ynoxy]propionitrile Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CN=CC=C2)CC#CCOCCC#N

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=CN=CC=C2)CC#CCOCCC#N

InChI

InChI=1S/C17H21N3O/c18-9-6-14-21-13-4-3-12-20-11-2-1-8-17(20)16-7-5-10-19-15-16/h5,7,10,15,17H,1-2,6,8,11-14H2/p+1/t17-/m0/s1