5-ethyl-5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenyl-hept-2-yn-4-ol

Systemtic Name: 5-ethyl-5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenyl-hept-2-yn-4-ol Openeye Name: 5-ethyl-5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenyl-hept-2-yn-4-ol CAS Name: 5-ethyl-5-methyl-1-(1-methyl-1-piperidin-1-iumyl)-4-phenyl-2-heptyn-4-ol IUPAC Name: 5-ethyl-5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhept-2-yn-4-ol Traditional Name: 5-ethyl-5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenyl-hept-2-yn-4-ol Formula: C22H34NO+ MolecularWeight: 328.51146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC)C(C#CC[N+]1(CCCCC1)C)(C2=CC=CC=C2)O

Isomeric SMILES

CCC(C)(CC)C(C#CC[N+]1(CCCCC1)C)(C2=CC=CC=C2)O

InChI

InChI=1S/C22H34NO/c1-5-21(3,6-2)22(24,20-14-9-7-10-15-20)16-13-19-23(4)17-11-8-12-18-23/h7,9-10,14-15,24H,5-6,8,11-12,17-19H2,1-4H3/q+1