4-(1-prop-2-enylpiperidin-1-ium-1-yl)but-2-yn-1-ol bromide

Systemtic Name: 4-(1-prop-2-enylpiperidin-1-ium-1-yl)but-2-yn-1-ol bromide Openeye Name: 4-(1-allylpiperidin-1-ium-1-yl)but-2-yn-1-ol bromide CAS Name: 4-(1-prop-2-enyl-1-piperidin-1-iumyl)-2-butyn-1-ol bromide IUPAC Name: 4-(1-prop-2-enylpiperidin-1-ium-1-yl)but-2-yn-1-ol bromide Traditional Name: 4-(1-allylpiperidin-1-ium-1-yl)but-2-yn-1-ol bromide Formula: C12H20BrNO MolecularWeight: 274.1973

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1(CCCCC1)CC#CCO.[Br-]

Isomeric SMILES

C=CC[N+]1(CCCCC1)CC#CCO.[Br-]

InChI

InChI=1S/C12H20NO.BrH/c1-2-8-13(11-6-7-12-14)9-4-3-5-10-13;/h2,14H,1,3-5,8-12H2;1H/q+1;/p-1