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CHEBI:45779 - 4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-N-METHYLPYRIDINIUM MESYLATE

Default Structure
ChEBI IDCHEBI:45779
ChEBI Name4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-N-METHYLPYRIDINIUM MESYLATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC29H29N7O
Net Charge+2
Average Mass491.599
Monoisotopic Mass491.24226
SMILES[H]c1c([H])c(N([H])c2c([H])c([H])[n+](C([H])([H])[H])c3c([H])c([H])c(N([H])[H])c([H])c23)c([H])c(N([H])[H])c1C(=O)N([H])c1c([H])c([H])c(N([H])c2c([H])c([H])[n+](C([H])([H])[H])c([H])c2[H])c([H])c1[H]
InChIInChI=1S/C29H27N7O/c1-35-14-11-22(12-15-35)32-20-4-6-21(7-5-20)34-29(37)24-9-8-23(18-26(24)31)33-27-13-16-36(2)28-10-3-19(30)17-25(27)28/h3-18H,30H2,1-2H3,(H3,31,34,37)/p+2
InChIKeyDOZAHXWWOPAJKW-UHFFFAOYSA-P
ChEBI Ontology
Outgoing Relation(s)
4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-N-METHYLPYRIDINIUM MESYLATE (CHEBI:45779) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-N-METHYLPYRIDINIUM MESYLATEPDBeChem
6-amino-4-{[3-amino-4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}-1-methylquinoliniumPDBeChem
Manual XrefsDatabases
SN7PDBeChem