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

Systemtic Name: [1-[1-(2-azanylethyl)piperazin-2-yl]-4-phosphono-butyl]phosphonic acid; 2-piperazin-1-ylethanamine Openeye Name: [1-[1-(2-aminoethyl)piperazin-2-yl]-4-phosphono-butyl]phosphonic acid; 2-piperazin-1-ylethanamine CAS Name: [1-[1-(2-aminoethyl)-2-piperazinyl]-4-phosphonobutyl]phosphonic acid; 2-(1-piperazinyl)ethanamine IUPAC Name: [1-[1-(2-aminoethyl)piperazin-2-yl]-4-phosphonobutyl]phosphonic acid; 2-piperazin-1-ylethanamine Traditional Name: [1-[1-(2-aminoethyl)piperazin-2-yl]-4-phosphono-butyl]phosphonic acid; 2-piperazinoethylamine Formula: C16H40N6O6P2 MolecularWeight: 474.472922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCN.C1CN(C(CN1)C(CCCP(=O)(O)O)P(=O)(O)O)CCN

Isomeric SMILES

C1CN(CCN1)CCN.C1CN(C(CN1)C(CCCP(=O)(O)O)P(=O)(O)O)CCN

InChI

InChI=1S/C10H25N3O6P2.C6H15N3/c11-3-5-13-6-4-12-8-9(13)10(21(17,18)19)2-1-7-20(14,15)16;7-1-4-9-5-2-8-3-6-9/h9-10,12H,1-8,11H2,(H2,14,15,16)(H2,17,18,19);8H,1-7H2