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CHEBI:46019 - 1,1'-[1,9-bis(dimethylammonio)nonane-1,9-diyl]bis{4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium}

ChEBI IDCHEBI:46019
ChEBI Name1,1'-[1,9-bis(dimethylammonio)nonane-1,9-diyl]bis{4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium}
Stars
ASCII Name1,1'-[1,9-bis(dimethylammonio)nonane-1,9-diyl]bis{4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium}
Last Modified27 June 2015
DownloadsMolfile
FormulaC49H58N6S2
Net Charge+4
Average Mass795.179
Monoisotopic Mass794.41424
SMILESCN1/C(=C/c2cc[n+](C(CCCCCCCC([n+]3ccc(/C=C4\Sc5ccccc5N4C)c4ccccc43)[NH+](C)C)[NH+](C)C)c3ccccc23)Sc2ccccc21
InChIInChI=1S/C49H56N6S2/c1-50(2)46(54-32-30-36(38-20-12-14-22-40(38)54)34-48-52(5)42-24-16-18-26-44(42)56-48)28-10-8-7-9-11-29-47(51(3)4)55-33-31-37(39-21-13-15-23-41(39)55)35-49-53(6)43-25-17-19-27-45(43)57-49/h12-27,30-35,46-47H,7-11,28-29H2,1-6H3/q+2/p+2
InChIKeyBBMPQRDQYVWQRH-UHFFFAOYSA-P
ChEBI Ontology
Outgoing Relation(s)
1,1'-[1,9-bis(dimethylammonio)nonane-1,9-diyl]bis{4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium} (CHEBI:46019) is a ammonium ion derivative (CHEBI:35274)
1,1'-[1,9-bis(dimethylammonio)nonane-1,9-diyl]bis{4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium} (CHEBI:46019) is a quinolinium ion (CHEBI:52837)
IUPAC Name 
1,1'-[1,9-bis(dimethylammonio)nonane-1,9-diyl]bis{4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium}
Synonym  Source
1,1'-{propane-1,3-diylbis[(dimethylammonio)propane-3,1-diyl]}bis{4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium}PDBeChem
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