barium(2+); 1-[(2-carboxylatophenyl)methyl]piperidine-3-carboxylate

Systemtic Name: barium(2+); 1-[(2-carboxylatophenyl)methyl]piperidine-3-carboxylate Openeye Name: barium(2+); 1-[(2-carboxylatophenyl)methyl]piperidine-3-carboxylate CAS Name: barium(2+); 1-[(2-carboxylatophenyl)methyl]-3-piperidinecarboxylate IUPAC Name: barium(2+); 1-[(2-carboxylatophenyl)methyl]piperidine-3-carboxylate Traditional Name: barium(2+); 1-(2-carboxylatobenzyl)nipecotate Formula: C14H15BaNO4 MolecularWeight: 398.6002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC=C2C(=O)[O-])C(=O)[O-].[Ba+2]

Isomeric SMILES

C1CC(CN(C1)CC2=CC=CC=C2C(=O)[O-])C(=O)[O-].[Ba+2]

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);/q;+2/p-2