1-[4-[[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-(2-piperidin-1-ium-1-ylethyl)amino]methyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-[[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-(2-piperidin-1-ium-1-ylethyl)amino]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-(2-piperidin-1-ium-1-ylethyl)amino]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[[(3R)-1-cyclopentyl-3-piperidin-1-iumyl]methyl-[2-(1-piperidin-1-iumyl)ethyl]amino]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-(2-piperidin-1-ium-1-ylethyl)amino]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-(2-piperidin-1-ium-1-ylethyl)amino]methyl]-2-thienyl]ethanone Formula: C25H43N3OS+2 MolecularWeight: 433.69342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)CN(CC[NH+]2CCCCC2)CC3CCC[NH+](C3)C4CCCC4

Isomeric SMILES

CC(=O)C1=CC(=CS1)CN(CC[NH+]2CCCCC2)C[C@H]3CCC[NH+](C3)C4CCCC4

InChI

InChI=1S/C25H41N3OS/c1-21(29)25-16-23(20-30-25)18-27(15-14-26-11-5-2-6-12-26)17-22-8-7-13-28(19-22)24-9-3-4-10-24/h16,20,22,24H,2-15,17-19H2,1H3/p+2/t22-/m1/s1