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

Systemtic Name: 3-[4-azanyl-2,6-bis(chloranyl)phenoxy]propyl-dibutyl-but-3-ynyl-azanium; methanesulfonate Openeye Name: 3-(4-amino-2,6-dichloro-phenoxy)propyl-dibutyl-but-3-ynyl-ammonium; methanesulfonate CAS Name: 3-(4-amino-2,6-dichlorophenoxy)propyl-dibutyl-but-3-ynylammonium; methanesulfonate IUPAC Name: 3-(4-amino-2,6-dichlorophenoxy)propyl-dibutyl-but-3-ynylazanium; methanesulfonate Traditional Name: 3-(4-amino-2,6-dichloro-phenoxy)propyl-dibutyl-but-3-ynyl-ammonium mesylate Formula: C22H36Cl2N2O4S MolecularWeight: 495.50324

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCOC1=C(C=C(C=C1Cl)N)Cl)CCC#C.CS(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCOC1=C(C=C(C=C1Cl)N)Cl)CCC#C.CS(=O)(=O)[O-]

InChI

InChI=1S/C21H33Cl2N2O.CH4O3S/c1-4-7-11-25(12-8-5-2,13-9-6-3)14-10-15-26-21-19(22)16-18(24)17-20(21)23;1-5(2,3)4/h1,16-17H,5-15,24H2,2-3H3;1H3,(H,2,3,4)/q+1;/p-1