[1-[1-(2-azanylethyl)piperazin-2-yl]-4-phosphono-butyl]phosphonic acid

Systemtic Name: [1-[1-(2-azanylethyl)piperazin-2-yl]-4-phosphono-butyl]phosphonic acid Openeye Name: [1-[1-(2-aminoethyl)piperazin-2-yl]-4-phosphono-butyl]phosphonic acid CAS Name: [1-[1-(2-aminoethyl)-2-piperazinyl]-4-phosphonobutyl]phosphonic acid IUPAC Name: [1-[1-(2-aminoethyl)piperazin-2-yl]-4-phosphonobutyl]phosphonic acid Traditional Name: [1-[1-(2-aminoethyl)piperazin-2-yl]-4-phosphono-butyl]phosphonic acid Formula: C10H25N3O6P2 MolecularWeight: 345.269522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C(CCCP(=O)(O)O)P(=O)(O)O)CCN

Isomeric SMILES

C1CN(C(CN1)C(CCCP(=O)(O)O)P(=O)(O)O)CCN

InChI

InChI=1S/C10H25N3O6P2/c11-3-5-13-6-4-12-8-9(13)10(21(17,18)19)2-1-7-20(14,15)16/h9-10,12H,1-8,11H2,(H2,14,15,16)(H2,17,18,19)