methyl 4-[[[(2R)-1-methylpiperidin-1-ium-2-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[(2R)-1-methylpiperidin-1-ium-2-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[(2R)-1-methylpiperidin-1-ium-2-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[(2R)-1-methyl-2-piperidin-1-iumyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(2R)-1-methylpiperidin-1-ium-2-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[(2R)-1-methylpiperidin-1-ium-2-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1C(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[NH+]1CCCC[C@@H]1C(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H22N2O3/c1-18-10-4-3-5-14(18)15(19)17-11-12-6-8-13(9-7-12)16(20)21-2/h6-9,14H,3-5,10-11H2,1-2H3,(H,17,19)/p+1/t14-/m1/s1