(2S)-2-piperidin-1-ium-1-yl-2-(4-propan-2-ylphenyl)ethanethioamide

Systemtic Name: (2S)-2-piperidin-1-ium-1-yl-2-(4-propan-2-ylphenyl)ethanethioamide Openeye Name: (2S)-2-(4-isopropylphenyl)-2-piperidin-1-ium-1-yl-thioacetamide CAS Name: (2S)-2-(1-piperidin-1-iumyl)-2-(4-propan-2-ylphenyl)ethanethioamide IUPAC Name: (2S)-2-piperidin-1-ium-1-yl-2-(4-propan-2-ylphenyl)ethanethioamide Traditional Name: (2S)-2-p-cumenyl-2-piperidin-1-ium-1-yl-thioacetamide Formula: C16H25N2S+ MolecularWeight: 277.4481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2S/c1-12(2)13-6-8-14(9-7-13)15(16(17)19)18-10-4-3-5-11-18/h6-9,12,15H,3-5,10-11H2,1-2H3,(H2,17,19)/p+1/t15-/m0/s1