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

Systemtic Name: (4R)-5-ethyl-5-methyl-4-phenyl-1-piperidin-1-ium-1-yl-hept-2-yn-4-ol Openeye Name: (4R)-5-ethyl-5-methyl-4-phenyl-1-piperidin-1-ium-1-yl-hept-2-yn-4-ol CAS Name: (4R)-5-ethyl-5-methyl-4-phenyl-1-(1-piperidin-1-iumyl)-2-heptyn-4-ol IUPAC Name: (4R)-5-ethyl-5-methyl-4-phenyl-1-piperidin-1-ium-1-ylhept-2-yn-4-ol Traditional Name: (4R)-5-ethyl-5-methyl-4-phenyl-1-piperidin-1-ium-1-yl-hept-2-yn-4-ol Formula: C21H32NO+ MolecularWeight: 314.48488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO/c1-4-20(3,5-2)21(23,19-13-8-6-9-14-19)15-12-18-22-16-10-7-11-17-22/h6,8-9,13-14,23H,4-5,7,10-11,16-18H2,1-3H3/p+1/t21-/m0/s1