3-[(2R)-2-[(4-methylsulfanylphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide

Systemtic Name: 3-[(2R)-2-[(4-methylsulfanylphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide Openeye Name: 3-[(2R)-2-[(4-methylsulfanylphenyl)methyl]-5-oxo-pyrrolidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide CAS Name: 3-[(2R)-2-[[4-(methylthio)phenyl]methyl]-5-oxo-2-pyrrolidinyl]-N-[2-(4-morpholin-4-iumyl)ethyl]propanamide IUPAC Name: 3-[(2R)-2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide Traditional Name: 3-[(2R)-5-keto-2-[4-(methylthio)benzyl]pyrrolidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)propionamide Formula: C21H32N3O3S+ MolecularWeight: 406.56208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC2(CCC(=O)N2)CCC(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C[C@@]2(CCC(=O)N2)CCC(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C21H31N3O3S/c1-28-18-4-2-17(3-5-18)16-21(9-7-20(26)23-21)8-6-19(25)22-10-11-24-12-14-27-15-13-24/h2-5H,6-16H2,1H3,(H,22,25)(H,23,26)/p+1/t21-/m0/s1