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

Systemtic Name: 5-ethyl-5-methyl-4-phenyl-1-(1-propylpiperidin-1-ium-1-yl)hept-2-yn-4-ol bromide Openeye Name: 5-ethyl-5-methyl-4-phenyl-1-(1-propylpiperidin-1-ium-1-yl)hept-2-yn-4-ol bromide CAS Name: 5-ethyl-5-methyl-4-phenyl-1-(1-propyl-1-piperidin-1-iumyl)-2-heptyn-4-ol bromide IUPAC Name: 5-ethyl-5-methyl-4-phenyl-1-(1-propylpiperidin-1-ium-1-yl)hept-2-yn-4-ol bromide Traditional Name: 5-ethyl-5-methyl-4-phenyl-1-(1-propylpiperidin-1-ium-1-yl)hept-2-yn-4-ol bromide Formula: C24H38BrNO MolecularWeight: 436.46862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38NO.BrH/c1-5-18-25(19-12-9-13-20-25)21-14-17-24(26,23(4,6-2)7-3)22-15-10-8-11-16-22;/h8,10-11,15-16,26H,5-7,9,12-13,18-21H2,1-4H3;1H/q+1;/p-1