3-piperidin-1-ium-1-yl-1,1-di(thiophen-3-yl)butan-1-ol bromide

Systemtic Name: 3-piperidin-1-ium-1-yl-1,1-di(thiophen-3-yl)butan-1-ol bromide Openeye Name: 3-piperidin-1-ium-1-yl-1,1-bis(3-thienyl)butan-1-ol bromide CAS Name: 3-(1-piperidin-1-iumyl)-1,1-bis(3-thiophenyl)-1-butanol bromide IUPAC Name: 3-piperidin-1-ium-1-yl-1,1-di(thiophen-3-yl)butan-1-ol bromide Traditional Name: 3-piperidin-1-ium-1-yl-1,1-bis(3-thienyl)butan-1-ol bromide Formula: C17H24BrNOS2 MolecularWeight: 402.41256

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CSC=C1)(C2=CSC=C2)O)[NH+]3CCCCC3.[Br-]

Isomeric SMILES

CC(CC(C1=CSC=C1)(C2=CSC=C2)O)[NH+]3CCCCC3.[Br-]

InChI

InChI=1S/C17H23NOS2.BrH/c1-14(18-7-3-2-4-8-18)11-17(19,15-5-9-20-12-15)16-6-10-21-13-16;/h5-6,9-10,12-14,19H,2-4,7-8,11H2,1H3;1H