3-ethyl-6-pyrrolidin-1-ium-1-yl-hex-4-yn-3-ol

Systemtic Name: 3-ethyl-6-pyrrolidin-1-ium-1-yl-hex-4-yn-3-ol Openeye Name: 3-ethyl-6-pyrrolidin-1-ium-1-yl-hex-4-yn-3-ol CAS Name: 3-ethyl-6-(1-pyrrolidin-1-iumyl)-4-hexyn-3-ol IUPAC Name: 3-ethyl-6-pyrrolidin-1-ium-1-ylhex-4-yn-3-ol Traditional Name: 3-ethyl-6-pyrrolidin-1-ium-1-yl-hex-4-yn-3-ol Formula: C12H22NO+ MolecularWeight: 196.30918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#CC[NH+]1CCCC1)O

Isomeric SMILES

CCC(CC)(C#CC[NH+]1CCCC1)O

InChI

InChI=1S/C12H21NO/c1-3-12(14,4-2)8-7-11-13-9-5-6-10-13/h14H,3-6,9-11H2,1-2H3/p+1