(2R)-N-(2-methylsulfanylphenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-methylsulfanylphenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide Openeye Name: (2R)-N-(2-methylsulfanylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide CAS Name: (2R)-N-[2-(methylthio)phenyl]-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: (2R)-N-(2-methylsulfanylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]propanamide Traditional Name: (2R)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-N-[2-(methylthio)phenyl]propionamide Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)N2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1SC)N2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C20H30N4O2S/c1-16(20(26)21-17-7-3-4-8-18(17)27-2)23-13-11-22(12-14-23)15-19(25)24-9-5-6-10-24/h3-4,7-8,16H,5-6,9-15H2,1-2H3,(H,21,26)/p+1/t16-/m1/s1