(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethanethioamide

Systemtic Name: (2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethanethioamide Openeye Name: (2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-thioacetamide CAS Name: (2S)-2-(4-tert-butylphenyl)-2-(1-pyrrolidin-1-iumyl)ethanethioamide IUPAC Name: (2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-ylethanethioamide Traditional Name: (2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-thioacetamide Formula: C16H25N2S+ MolecularWeight: 277.4481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C(=S)N)[NH+]2CCCC2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@@H](C(=S)N)[NH+]2CCCC2

InChI

InChI=1S/C16H24N2S/c1-16(2,3)13-8-6-12(7-9-13)14(15(17)19)18-10-4-5-11-18/h6-9,14H,4-5,10-11H2,1-3H3,(H2,17,19)/p+1/t14-/m0/s1