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

Systemtic Name: 2-[1-[(2-propanoylphenyl)amino]piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(2-propanoylanilino)piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[1-[2-(1-oxopropyl)anilino]-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[1-(2-propanoylanilino)piperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[1-(2-propionylanilino)piperidin-1-ium-1-yl]acetic acid Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-2-15(19)13-8-4-5-9-14(13)17-18(12-16(20)21)10-6-3-7-11-18/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H-,17,19,20,21)/p+1