1-[4-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[(3S)-3-pyrrolidin-1-ium-1-yl-1-piperidyl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[(3S)-3-(1-pyrrolidin-1-iumyl)-1-piperidinyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidino]methyl]-2-thienyl]ethanone Formula: C16H25N2OS+ MolecularWeight: 293.4475

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)CN2CCCC(C2)[NH+]3CCCC3

Isomeric SMILES

CC(=O)C1=CC(=CS1)CN2CCC[C@@H](C2)[NH+]3CCCC3

InChI

InChI=1S/C16H24N2OS/c1-13(19)16-9-14(12-20-16)10-17-6-4-5-15(11-17)18-7-2-3-8-18/h9,12,15H,2-8,10-11H2,1H3/p+1/t15-/m0/s1