3-oxidanyl-1-[4-[2-(4-phenylpyridin-1-ium-1-yl)ethanoylamino]phenyl]piperidine-2-carboxylic acid

Systemtic Name: 3-oxidanyl-1-[4-[2-(4-phenylpyridin-1-ium-1-yl)ethanoylamino]phenyl]piperidine-2-carboxylic acid Openeye Name: 3-hydroxy-1-[4-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]phenyl]piperidine-2-carboxylic acid CAS Name: 3-hydroxy-1-[4-[[1-oxo-2-(4-phenyl-1-pyridin-1-iumyl)ethyl]amino]phenyl]-2-piperidinecarboxylic acid IUPAC Name: 3-hydroxy-1-[4-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]phenyl]piperidine-2-carboxylic acid Traditional Name: 3-hydroxy-1-[4-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]phenyl]pipecolinic acid Formula: C25H26N3O4+ MolecularWeight: 432.49164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C2=CC=C(C=C2)NC(=O)C[N+]3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O)O

Isomeric SMILES

C1CC(C(N(C1)C2=CC=C(C=C2)NC(=O)C[N+]3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O)O

InChI

InChI=1S/C25H25N3O4/c29-22-7-4-14-28(24(22)25(31)32)21-10-8-20(9-11-21)26-23(30)17-27-15-12-19(13-16-27)18-5-2-1-3-6-18/h1-3,5-6,8-13,15-16,22,24,29H,4,7,14,17H2,(H-,26,30,31,32)/p+1