ethyl 2-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCCCC2C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCCC[C@@H]2C

InChI

InChI=1S/C17H24N2O3/c1-3-22-17(21)14-9-4-5-10-15(14)18-16(20)12-19-11-7-6-8-13(19)2/h4-5,9-10,13H,3,6-8,11-12H2,1-2H3,(H,18,20)/p+1/t13-/m0/s1