(2S)-2-(4-propoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethanethioamide

Systemtic Name: (2S)-2-(4-propoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethanethioamide Openeye Name: (2S)-2-(4-propoxyphenyl)-2-pyrrolidin-1-ium-1-yl-thioacetamide CAS Name: (2S)-2-(4-propoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethanethioamide IUPAC Name: (2S)-2-(4-propoxyphenyl)-2-pyrrolidin-1-ium-1-ylethanethioamide Traditional Name: (2S)-2-(4-propoxyphenyl)-2-pyrrolidin-1-ium-1-yl-thioacetamide Formula: C15H23N2OS+ MolecularWeight: 279.42092

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(C(=S)N)[NH+]2CCCC2

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@H](C(=S)N)[NH+]2CCCC2

InChI

InChI=1S/C15H22N2OS/c1-2-11-18-13-7-5-12(6-8-13)14(15(16)19)17-9-3-4-10-17/h5-8,14H,2-4,9-11H2,1H3,(H2,16,19)/p+1/t14-/m0/s1