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

Systemtic Name: 2-methyl-5-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]pent-3-yn-2-ol Openeye Name: 2-methyl-5-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]pent-3-yn-2-ol CAS Name: 2-methyl-5-[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]-3-pentyn-2-ol IUPAC Name: 2-methyl-5-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]pent-3-yn-2-ol Traditional Name: 2-methyl-5-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]pent-3-yn-2-ol Formula: C16H23N2O+ MolecularWeight: 259.36662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O/c1-16(2,19)9-6-12-18-11-4-3-8-15(18)14-7-5-10-17-13-14/h5,7,10,13,15,19H,3-4,8,11-12H2,1-2H3/p+1/t15-/m0/s1