2-[(2S)-2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrolidin-1-ium-1-yl]ethyl benzoate

Systemtic Name: 2-[(2S)-2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrolidin-1-ium-1-yl]ethyl benzoate Openeye Name: 2-[(2S)-2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrolidin-1-ium-1-yl]ethyl benzoate CAS Name: benzoic acid 2-[(2S)-2-[oxo-(2,4,6-trimethylanilino)methyl]-1-pyrrolidin-1-iumyl]ethyl ester IUPAC Name: 2-[(2S)-2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrolidin-1-ium-1-yl]ethyl benzoate Traditional Name: benzoic acid 2-[(2S)-2-(mesitylcarbamoyl)pyrrolidin-1-ium-1-yl]ethyl ester Formula: C23H29N2O3+ MolecularWeight: 381.48796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2CCC[NH+]2CCOC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@@H]2CCC[NH+]2CCOC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C23H28N2O3/c1-16-14-17(2)21(18(3)15-16)24-22(26)20-10-7-11-25(20)12-13-28-23(27)19-8-5-4-6-9-19/h4-6,8-9,14-15,20H,7,10-13H2,1-3H3,(H,24,26)/p+1/t20-/m0/s1