2-[1-[(2-propanoylphenyl)amino]piperidin-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[1-[(2-propanoylphenyl)amino]piperidin-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-(2-propanoylanilino)piperidin-1-ium-1-yl]propanoic acid CAS Name: 2-[1-[2-(1-oxopropyl)anilino]-1-piperidin-1-iumyl]propanoic acid IUPAC Name: 2-[1-(2-propanoylanilino)piperidin-1-ium-1-yl]propanoic acid Traditional Name: 2-[1-(2-propionylanilino)piperidin-1-ium-1-yl]propionic acid Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1N[N+]2(CCCCC2)C(C)C(=O)O

Isomeric SMILES

CCC(=O)C1=CC=CC=C1N[N+]2(CCCCC2)C(C)C(=O)O

InChI

InChI=1S/C17H24N2O3/c1-3-16(20)14-9-5-6-10-15(14)18-19(13(2)17(21)22)11-7-4-8-12-19/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H-,18,20,21,22)/p+1