2-(4-bromophenyl)sulfanyl-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-bromophenyl)sulfanyl-acetamide CAS Name: 2-[(4-bromophenyl)thio]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-bromophenyl)sulfanylacetamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[(4-bromophenyl)thio]acetamide Formula: C19H22BrN2OS+ MolecularWeight: 406.35978

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)CSC2=CC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)CSC2=CC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C19H21BrN2OS/c20-16-6-8-18(9-7-16)24-14-19(23)21-17-10-11-22(13-17)12-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H,21,23)/p+1/t17-/m1/s1