4-[2,6-bis(chloranyl)-4-(dimethylamino)phenoxy]butyl-dibutyl-but-3-ynyl-azanium; methanesulfonate

Systemtic Name: 4-[2,6-bis(chloranyl)-4-(dimethylamino)phenoxy]butyl-dibutyl-but-3-ynyl-azanium; methanesulfonate Openeye Name: dibutyl-but-3-ynyl-[4-[2,6-dichloro-4-(dimethylamino)phenoxy]butyl]ammonium; methanesulfonate CAS Name: dibutyl-but-3-ynyl-[4-[2,6-dichloro-4-(dimethylamino)phenoxy]butyl]ammonium; methanesulfonate IUPAC Name: dibutyl-but-3-ynyl-[4-[2,6-dichloro-4-(dimethylamino)phenoxy]butyl]azanium; methanesulfonate Traditional Name: dibutyl-but-3-ynyl-[4-[2,6-dichloro-4-(dimethylamino)phenoxy]butyl]ammonium mesylate Formula: C25H42Cl2N2O4S MolecularWeight: 537.58298

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCCOC1=C(C=C(C=C1Cl)N(C)C)Cl)CCC#C.CS(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCCOC1=C(C=C(C=C1Cl)N(C)C)Cl)CCC#C.CS(=O)(=O)[O-]

InChI

InChI=1S/C24H39Cl2N2O.CH4O3S/c1-6-9-14-28(15-10-7-2,16-11-8-3)17-12-13-18-29-24-22(25)19-21(27(4)5)20-23(24)26;1-5(2,3)4/h1,19-20H,7-18H2,2-5H3;1H3,(H,2,3,4)/q+1;/p-1