4-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: 4-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]benzoate Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H20N2O3/c1-11-3-2-8-17(9-11)10-14(18)16-13-6-4-12(5-7-13)15(19)20/h4-7,11H,2-3,8-10H2,1H3,(H,16,18)(H,19,20)/t11-/m0/s1