(2S)-2-acetamido-3-phenylsulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-phenylsulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide Openeye Name: (2S)-2-acetamido-3-phenylsulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide CAS Name: (2S)-2-acetamido-3-(phenylthio)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]propanamide IUPAC Name: (2S)-2-acetamido-3-phenylsulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide Traditional Name: (2S)-2-acetamido-3-(phenylthio)-N-(2-pyrrolidin-1-ium-1-ylethyl)propionamide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-14(21)19-16(13-23-15-7-3-2-4-8-15)17(22)18-9-12-20-10-5-6-11-20/h2-4,7-8,16H,5-6,9-13H2,1H3,(H,18,22)(H,19,21)/p+1/t16-/m1/s1