(2S)-2-acetamido-3-(4-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(4-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide Openeye Name: (2S)-2-acetamido-3-(4-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(4-chlorophenyl)thio]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(4-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide Traditional Name: (2S)-2-acetamido-3-[(4-chlorophenyl)thio]-N-(2-pyrrolidin-1-ium-1-ylethyl)propionamide Formula: C17H25ClN3O2S+ MolecularWeight: 370.9173

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)Cl)C(=O)NCC[NH+]2CCCC2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)Cl)C(=O)NCC[NH+]2CCCC2

InChI

InChI=1S/C17H24ClN3O2S/c1-13(22)20-16(12-24-15-6-4-14(18)5-7-15)17(23)19-8-11-21-9-2-3-10-21/h4-7,16H,2-3,8-12H2,1H3,(H,19,23)(H,20,22)/p+1/t16-/m1/s1