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

Systemtic Name: 1-[4-[[(3S)-3-(4-chlorophenyl)carbonylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[(3S)-3-(4-chlorobenzoyl)piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[(3S)-3-[(4-chlorophenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[(3S)-3-(4-chlorobenzoyl)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[(3S)-3-(4-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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO2S/c1-13(22)18-9-14(12-24-18)10-21-8-2-3-16(11-21)19(23)15-4-6-17(20)7-5-15/h4-7,9,12,16H,2-3,8,10-11H2,1H3/p+1/t16-/m0/s1