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

Systemtic Name: (2S)-2-acetamido-3-(4-methylphenyl)sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide Openeye Name: (2S)-2-acetamido-3-(p-tolylsulfanyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(4-methylphenyl)thio]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(4-methylphenyl)sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide Traditional Name: (2S)-2-acetamido-3-(p-tolylthio)-N-(2-pyrrolidin-1-ium-1-ylethyl)propionamide Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C(=O)NCC[NH+]2CCCC2)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](C(=O)NCC[NH+]2CCCC2)NC(=O)C

InChI

InChI=1S/C18H27N3O2S/c1-14-5-7-16(8-6-14)24-13-17(20-15(2)22)18(23)19-9-12-21-10-3-4-11-21/h5-8,17H,3-4,9-13H2,1-2H3,(H,19,23)(H,20,22)/p+1/t17-/m1/s1