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CHEBI:44600 - 4-[amino(imino)methyl]-1-[2-(3-ammoniopropoxy)-5-methoxybenzyl]piperazin-1-ium

ChEBI IDCHEBI:44600
ChEBI Name4-[amino(imino)methyl]-1-[2-(3-ammoniopropoxy)-5-methoxybenzyl]piperazin-1-ium
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC16H29N5O2
Net Charge+2
Average Mass323.441
Monoisotopic Mass323.23103
SMILES[H]/N=C(\N([H])[H])N1C([H])([H])C([H])([H])[N+]([H])(C([H])([H])c2c([H])c(OC([H])([H])[H])c([H])c([H])c2OC([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C1([H])[H]
InChIInChI=1S/C16H27N5O2/c1-22-14-3-4-15(23-10-2-5-17)13(11-14)12-20-6-8-21(9-7-20)16(18)19/h3-4,11H,2,5-10,12,17H2,1H3,(H3,18,19)/p+2
InChIKeyXWWAFELYNPUCDX-UHFFFAOYSA-P
ChEBI Ontology
Outgoing Relation(s)
4-[amino(imino)methyl]-1-[2-(3-ammoniopropoxy)-5-methoxybenzyl]piperazin-1-ium (CHEBI:44600) is a carboxamidine (CHEBI:35359)
4-[amino(imino)methyl]-1-[2-(3-ammoniopropoxy)-5-methoxybenzyl]piperazin-1-ium (CHEBI:44600) is a piperazinium salt (CHEBI:46849)
Synonyms  Source
4-[amino(imino)methyl]-1-[2-(3-ammoniopropoxy)-5-methoxybenzyl]piperazin-1-iumPDBeChem
1-[2-(3-ammoniopropoxy)-5-methoxybenzyl]-4-carbamimidoylpiperazin-1-iumPDBeChem
Manual XrefsDatabases
P12PDBeChem