methyl 4-[[(2S)-2-aminocarbonylpyrrolidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(2S)-2-aminocarbonylpyrrolidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(2S)-2-carbamoylpyrrolidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[(2S)-2-carbamoyl-1-pyrrolidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-carbamoylpyrrolidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[(2S)-2-carbamoylpyrrolidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C14H19N2O3+ MolecularWeight: 263.31226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCCC2C(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC[C@H]2C(=O)N

InChI

InChI=1S/C14H18N2O3/c1-19-14(18)11-6-4-10(5-7-11)9-16-8-2-3-12(16)13(15)17/h4-7,12H,2-3,8-9H2,1H3,(H2,15,17)/p+1/t12-/m0/s1