1-[3-[[(3S)-3-(3-methylthiophen-2-yl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[3-[[(3S)-3-(3-methylthiophen-2-yl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[[(3S)-3-(3-methylthiophene-2-carbonyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[3-[[(3S)-3-[(3-methyl-2-thiophenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[(3S)-3-(3-methylthiophene-2-carbonyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[3-[[(3S)-3-(3-methylthiophene-2-carbonyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C20H24NO2S+ MolecularWeight: 342.47506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCC[NH+](C2)CC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=C(SC=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C20H23NO2S/c1-14-8-10-24-20(14)19(23)18-7-4-9-21(13-18)12-16-5-3-6-17(11-16)15(2)22/h3,5-6,8,10-11,18H,4,7,9,12-13H2,1-2H3/p+1/t18-/m0/s1