barium; 1-[(2-carboxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: barium; 1-[(2-carboxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: barium; 1-[(2-carboxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: barium; 1-[(2-carboxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: barium; 1-[(2-carboxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: barium; 1-(2-carboxybenzyl)nipecotic acid Formula: C14H17BaNO4 MolecularWeight: 400.61608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC=C2C(=O)O)C(=O)O.[Ba]

Isomeric SMILES

C1CC(CN(C1)CC2=CC=CC=C2C(=O)O)C(=O)O.[Ba]

InChI

InChI=1S/C14H17NO4.Ba/c16-13(17)11-5-3-7-15(9-11)8-10-4-1-2-6-12(10)14(18)19;/h1-2,4,6,11H,3,5,7-9H2,(H,16,17)(H,18,19);