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

Systemtic Name: 4-[[(3S)-3-aminocarbonylpiperidin-1-ium-1-yl]methyl]benzoate Openeye Name: 4-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[(3S)-3-carbamoyl-1-piperidin-1-iumyl]methyl]benzoate IUPAC Name: 4-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]benzoate Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)C(=O)[O-])C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)C(=O)[O-])C(=O)N

InChI

InChI=1S/C14H18N2O3/c15-13(17)12-2-1-7-16(9-12)8-10-3-5-11(6-4-10)14(18)19/h3-6,12H,1-2,7-9H2,(H2,15,17)(H,18,19)/t12-/m0/s1