(4R)-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]non-7-en-2-yn-4-ol

Systemtic Name: (4R)-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]non-7-en-2-yn-4-ol Openeye Name: (4R)-4,8-dimethyl-1-[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]non-7-en-2-yn-4-ol CAS Name: (4R)-4,8-dimethyl-1-[(2R)-2-(3-pyridinyl)-1-piperidin-1-iumyl]-4-non-7-en-2-ynol IUPAC Name: (4R)-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]non-7-en-2-yn-4-ol Traditional Name: (4R)-4,8-dimethyl-1-[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]non-7-en-2-yn-4-ol Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O/c1-18(2)9-6-12-21(3,24)13-8-16-23-15-5-4-11-20(23)19-10-7-14-22-17-19/h7,9-10,14,17,20,24H,4-6,11-12,15-16H2,1-3H3/p+1/t20-,21-/m1/s1