4-(4-phosphonobutyl)piperazine-2-carboxylic acid

Systemtic Name: 4-(4-phosphonobutyl)piperazine-2-carboxylic acid Openeye Name: 4-(4-phosphonobutyl)piperazine-2-carboxylic acid CAS Name: 4-(4-phosphonobutyl)-2-piperazinecarboxylic acid IUPAC Name: 4-(4-phosphonobutyl)piperazine-2-carboxylic acid Traditional Name: 4-(4-phosphonobutyl)piperazine-2-carboxylic acid Formula: C9H19N2O5P MolecularWeight: 266.231321

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C(=O)O)CCCCP(=O)(O)O

Isomeric SMILES

C1CN(CC(N1)C(=O)O)CCCCP(=O)(O)O

InChI

InChI=1S/C9H19N2O5P/c12-9(13)8-7-11(5-3-10-8)4-1-2-6-17(14,15)16/h8,10H,1-7H2,(H,12,13)(H2,14,15,16)