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CHEBI:41449 - 3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM

Default Structure
ChEBI IDCHEBI:41449
ChEBI Name3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC17H22N9
Net Charge+3
Average Mass352.426
Monoisotopic Mass352.19817
SMILES[H]/C(=N\N([H])/C(N([H])[H])=[N+]([H])/N=C(\[H])c1c([H])c([H])c([H])c(C(N([H])[H])=[N+]([H])[H])c1[H])c1c([H])c([H])c([H])c(C(N([H])[H])=[N+]([H])[H])c1[H]
InChIInChI=1S/C17H19N9/c18-15(19)13-5-1-3-11(7-13)9-23-25-17(22)26-24-10-12-4-2-6-14(8-12)16(20)21/h1-10H,(H3,18,19)(H3,20,21)(H3,22,25,26)/p+3/b23-9+,24-10+
InChIKeyNSHBIZYDZBQOQB-WDBPGAOMSA-Q
ChEBI Ontology
Outgoing Relation(s)
3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM (CHEBI:41449) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1E,2E)-1-{amino[(2E)-2-({3-[amino(iminio)methyl]phenyl}methylidene)hydrazino]methylidene}-2-({3-[amino(iminio)methyl]phenyl}methylidene)diazaniumPDBeChem
3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUMPDBeChem
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