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

Systemtic Name: (2S)-2-(4-dimethylaminophenyl)-2-piperidin-1-ium-1-yl-ethanethioamide Openeye Name: (2S)-2-(4-dimethylaminophenyl)-2-piperidin-1-ium-1-yl-thioacetamide CAS Name: (2S)-2-(4-dimethylaminophenyl)-2-(1-piperidin-1-iumyl)ethanethioamide IUPAC Name: (2S)-2-(4-dimethylaminophenyl)-2-piperidin-1-ium-1-ylethanethioamide Traditional Name: (2S)-2-(4-dimethylaminophenyl)-2-piperidin-1-ium-1-yl-thioacetamide Formula: C15H24N3S+ MolecularWeight: 278.43616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3S/c1-17(2)13-8-6-12(7-9-13)14(15(16)19)18-10-4-3-5-11-18/h6-9,14H,3-5,10-11H2,1-2H3,(H2,16,19)/p+1/t14-/m0/s1