1-[4-[[(3S)-3-(3-chlorophenyl)carbonylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-[[(3S)-3-(3-chlorophenyl)carbonylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[(3S)-3-(3-chlorobenzoyl)piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[(3S)-3-[(3-chlorophenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[(3S)-3-(3-chlorobenzoyl)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[(3S)-3-(3-chlorobenzoyl)piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone Formula: C19H21ClNO2S+ MolecularWeight: 362.89354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H20ClNO2S/c1-13(22)18-8-14(12-24-18)10-21-7-3-5-16(11-21)19(23)15-4-2-6-17(20)9-15/h2,4,6,8-9,12,16H,3,5,7,10-11H2,1H3/p+1/t16-/m0/s1