(4-chlorophenyl)-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-chlorophenyl)-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-chlorophenyl)-[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]methanone CAS Name: (4-chlorophenyl)-[(3S)-1-(4-thianyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-chlorophenyl)-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-chlorophenyl)-[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]methanone Formula: C17H23ClNOS+ MolecularWeight: 324.88862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCSCC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCSCC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H22ClNOS/c18-15-5-3-13(4-6-15)17(20)14-2-1-9-19(12-14)16-7-10-21-11-8-16/h3-6,14,16H,1-2,7-12H2/p+1/t14-/m0/s1