methyl (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-1,2-dimethyl-5-(o-tolyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-[oxo(1-pyrrolidinyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-1,2-dimethyl-5-(o-tolyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C20H29N2O3+ MolecularWeight: 345.45586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(CC([NH+]2C)(C)C(=O)OC)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1[C@H]2[C@H](C[C@@]([NH+]2C)(C)C(=O)OC)C(=O)N3CCCC3

InChI

InChI=1S/C20H28N2O3/c1-14-9-5-6-10-15(14)17-16(18(23)22-11-7-8-12-22)13-20(2,21(17)3)19(24)25-4/h5-6,9-10,16-17H,7-8,11-13H2,1-4H3/p+1/t16-,17-,20-/m0/s1