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CHEBI:45537 - 1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM

Default Structure
ChEBI IDCHEBI:45537
ChEBI Name1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC30H47N5O
Net Charge0
Average Mass493.740
Monoisotopic Mass493.37806
SMILES[H]C1=C(N([H])[C@]2([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)N([H])[C@]3([H])C([H])([H])C([H])([H])[C@@]([H])(N([H])C4([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C4([H])[H])C([H])([H])C3([H])[H])C([H])([H])C2([H])[H])c2c([H])c(C([H])([H])[H])c([H])c([H])c2N(C([H])([H])[H])C1([H])[H]
InChIInChI=1S/C30H47N5O/c1-21-4-13-29-27(20-21)28(16-19-35(29)3)32-24-7-5-22(6-8-24)30(36)33-25-11-9-23(10-12-25)31-26-14-17-34(2)18-15-26/h4,13,16,20,22-26,31-32H,5-12,14-15,17-19H2,1-3H3,(H,33,36)/t22-,23-,24-,25-
InChIKeyVJDMGOLLSXKCPI-YROJFRDXSA-N
ChEBI Ontology
Outgoing Relation(s)
1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM (CHEBI:45537) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUMPDBeChem
trans-4-[(1,6-dimethyl-1,2-dihydroquinolin-4-yl)amino]-N-{cis-4-[(1-methylpiperidin-4-yl)amino]cyclohexyl}cyclohexanecarboxamidePDBeChem
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