methyl (2S,4S,5R)-4-[2-hydroxyethyl(methyl)carbamoyl]-1,2-dimethyl-5-phenyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-4-[2-hydroxyethyl(methyl)carbamoyl]-1,2-dimethyl-5-phenyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-4-[2-hydroxyethyl(methyl)carbamoyl]-1,2-dimethyl-5-phenyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-4-[[2-hydroxyethyl(methyl)amino]-oxomethyl]-1,2-dimethyl-5-phenyl-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-4-[2-hydroxyethyl(methyl)carbamoyl]-1,2-dimethyl-5-phenylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-4-[2-hydroxyethyl(methyl)carbamoyl]-1,2-dimethyl-5-phenyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C18H27N2O4+ MolecularWeight: 335.41798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C([NH+]1C)C2=CC=CC=C2)C(=O)N(C)CCO)C(=O)OC

Isomeric SMILES

C[C@]1(C[C@@H]([C@@H]([NH+]1C)C2=CC=CC=C2)C(=O)N(C)CCO)C(=O)OC

InChI

InChI=1S/C18H26N2O4/c1-18(17(23)24-4)12-14(16(22)19(2)10-11-21)15(20(18)3)13-8-6-5-7-9-13/h5-9,14-15,21H,10-12H2,1-4H3/p+1/t14-,15-,18-/m0/s1