3-(1-methylpiperidin-1-ium-2-yl)-1-thiophen-2-yl-propan-1-one

Systemtic Name: 3-(1-methylpiperidin-1-ium-2-yl)-1-thiophen-2-yl-propan-1-one Openeye Name: 3-(1-methylpiperidin-1-ium-2-yl)-1-(2-thienyl)propan-1-one CAS Name: 3-(1-methyl-2-piperidin-1-iumyl)-1-thiophen-2-yl-1-propanone IUPAC Name: 3-(1-methylpiperidin-1-ium-2-yl)-1-thiophen-2-ylpropan-1-one Traditional Name: 3-(1-methylpiperidin-1-ium-2-yl)-1-(2-thienyl)propan-1-one Formula: C13H20NOS+ MolecularWeight: 238.369

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCC(=O)C2=CC=CS2

Isomeric SMILES

C[NH+]1CCCCC1CCC(=O)C2=CC=CS2

InChI

InChI=1S/C13H19NOS/c1-14-9-3-2-5-11(14)7-8-12(15)13-6-4-10-16-13/h4,6,10-11H,2-3,5,7-9H2,1H3/p+1