3-(1-methylpyrrolidin-1-ium-1-yl)-1,1-di(thiophen-3-yl)butan-1-ol iodide

Systemtic Name: 3-(1-methylpyrrolidin-1-ium-1-yl)-1,1-di(thiophen-3-yl)butan-1-ol iodide Openeye Name: 3-(1-methylpyrrolidin-1-ium-1-yl)-1,1-bis(3-thienyl)butan-1-ol iodide CAS Name: 3-(1-methyl-1-pyrrolidin-1-iumyl)-1,1-bis(3-thiophenyl)-1-butanol iodide IUPAC Name: 3-(1-methylpyrrolidin-1-ium-1-yl)-1,1-di(thiophen-3-yl)butan-1-ol iodide Traditional Name: 3-(1-methylpyrrolidin-1-ium-1-yl)-1,1-bis(3-thienyl)butan-1-ol iodide Formula: C17H24INOS2 MolecularWeight: 449.41303

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CSC=C1)(C2=CSC=C2)O)[N+]3(CCCC3)C.[I-]

Isomeric SMILES

CC(CC(C1=CSC=C1)(C2=CSC=C2)O)[N+]3(CCCC3)C.[I-]

InChI

InChI=1S/C17H24NOS2.HI/c1-14(18(2)7-3-4-8-18)11-17(19,15-5-9-20-12-15)16-6-10-21-13-16;/h5-6,9-10,12-14,19H,3-4,7-8,11H2,1-2H3;1H/q+1;/p-1