methyl 4-[[(3S)-3-aminocarbonylpiperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(3S)-3-aminocarbonylpiperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[(3S)-3-carbamoyl-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C15H20N2O3/c1-20-15(19)12-6-4-11(5-7-12)9-17-8-2-3-13(10-17)14(16)18/h4-7,13H,2-3,8-10H2,1H3,(H2,16,18)/p+1/t13-/m0/s1