2-[1-[2-(sulfanylmethyl)phenyl]pyrrolidin-1-ium-1-yl]propanamide

Systemtic Name: 2-[1-[2-(sulfanylmethyl)phenyl]pyrrolidin-1-ium-1-yl]propanamide Openeye Name: 2-[1-[2-(sulfanylmethyl)phenyl]pyrrolidin-1-ium-1-yl]propanamide CAS Name: 2-[1-[2-(mercaptomethyl)phenyl]-1-pyrrolidin-1-iumyl]propanamide IUPAC Name: 2-[1-[2-(sulfanylmethyl)phenyl]pyrrolidin-1-ium-1-yl]propanamide Traditional Name: 2-[1-[2-(mercaptomethyl)phenyl]pyrrolidin-1-ium-1-yl]propionamide Formula: C14H21N2OS+ MolecularWeight: 265.39434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)[N+]1(CCCC1)C2=CC=CC=C2CS

Isomeric SMILES

CC(C(=O)N)[N+]1(CCCC1)C2=CC=CC=C2CS

InChI

InChI=1S/C14H20N2OS/c1-11(14(15)17)16(8-4-5-9-16)13-7-3-2-6-12(13)10-18/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2-,15,17,18)/p+1