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

Systemtic Name: methyl 3-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]benzoate Openeye Name: methyl 3-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]benzoate CAS Name: 3-[(4-carbamoyl-1-piperidin-1-iumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]benzoate Traditional Name: 3-[(4-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(=CC=C1)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C15H20N2O3/c1-20-15(19)13-4-2-3-11(9-13)10-17-7-5-12(6-8-17)14(16)18/h2-4,9,12H,5-8,10H2,1H3,(H2,16,18)/p+1