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

Systemtic Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-[(2R)-2-[(4-methylsulfanylphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]propanamide Openeye Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-[(2R)-2-[(4-methylsulfanylphenyl)methyl]-5-oxo-pyrrolidin-2-yl]propanamide CAS Name: N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-3-[(2R)-2-[[4-(methylthio)phenyl]methyl]-5-oxo-2-pyrrolidinyl]propanamide IUPAC Name: N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-3-[(2R)-2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide Traditional Name: 3-[(2R)-5-keto-2-[4-(methylthio)benzyl]pyrrolidin-2-yl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)propionamide Formula: C23H36N3O3S+ MolecularWeight: 434.61524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)CCC1(CCC(=O)N1)CC2=CC=C(C=C2)SC)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)CC[C@]1(CCC(=O)N1)CC2=CC=C(C=C2)SC)[NH+]3CCOCC3

InChI

InChI=1S/C23H35N3O3S/c1-22(2,26-12-14-29-15-13-26)17-24-20(27)8-10-23(11-9-21(28)25-23)16-18-4-6-19(30-3)7-5-18/h4-7H,8-17H2,1-3H3,(H,24,27)(H,25,28)/p+1/t23-/m0/s1