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

Systemtic Name: methyl 4-[2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C20H23N2O3+ MolecularWeight: 339.40822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCCC2C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3/c1-25-20(24)16-9-11-17(12-10-16)21-19(23)14-22-13-5-8-18(22)15-6-3-2-4-7-15/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,21,23)/p+1/t18-/m0/s1