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CHEBI:51830 - ATTO 635-3

ChEBI IDCHEBI:51830
ChEBI NameATTO 635-3
Stars
Last Modified10 February 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC32H38N3O4.ClO4
Net Charge0
Average Mass628.122
Monoisotopic Mass627.23474
SMILESCC1=CC(C)(C)[N+](CCCC(=O)ON2C(=O)CCC2=O)=c2cc3c(cc21)=Cc1ccc(N(C)C)cc1C3(C)C.O=Cl(=O)(=O)[O-]
InChIInChI=1S/C32H38N3O4.ClHO4/c1-20-19-31(2,3)34(14-8-9-30(38)39-35-28(36)12-13-29(35)37)27-18-26-22(16-24(20)27)15-21-10-11-23(33(6)7)17-25(21)32(26,4)5;2-1(3,4)5/h10-11,15-19H,8-9,12-14H2,1-7H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyTZOJKHWYZZHQDJ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
ATTO 635-3 (CHEBI:51830) has functional parent ATTO 635-2 (CHEBI:51829)
ATTO 635-3 (CHEBI:51830) is a pyrrolidinone (CHEBI:38275)
IUPAC Name 
9-(dimethylamino)-1-{4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl}-2,2,4,11,11-pentamethyl-2,11-dihydronaphtho[2,3-g]quinolinium perchlorate
Synonym  Source
ATTO 635 NHS-esterChEBI