(2S)-2-(4-ethylphenyl)-2-piperidin-1-ium-1-yl-ethanethioamide

Systemtic Name: (2S)-2-(4-ethylphenyl)-2-piperidin-1-ium-1-yl-ethanethioamide Openeye Name: (2S)-2-(4-ethylphenyl)-2-piperidin-1-ium-1-yl-thioacetamide CAS Name: (2S)-2-(4-ethylphenyl)-2-(1-piperidin-1-iumyl)ethanethioamide IUPAC Name: (2S)-2-(4-ethylphenyl)-2-piperidin-1-ium-1-ylethanethioamide Traditional Name: (2S)-2-(4-ethylphenyl)-2-piperidin-1-ium-1-yl-thioacetamide Formula: C15H23N2S+ MolecularWeight: 263.42152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(=S)N)[NH+]2CCCCC2

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C(=S)N)[NH+]2CCCCC2

InChI

InChI=1S/C15H22N2S/c1-2-12-6-8-13(9-7-12)14(15(16)18)17-10-4-3-5-11-17/h6-9,14H,2-5,10-11H2,1H3,(H2,16,18)/p+1/t14-/m0/s1