5-[2-[[2,6-bis(chloranyl)phenyl]methoxy]ethyl]-4-methyl-1,3-thiazol-3-ium-3-amine; (3,5-dimethylphenyl)methanesulfonate

Systemtic Name: 5-[2-[[2,6-bis(chloranyl)phenyl]methoxy]ethyl]-4-methyl-1,3-thiazol-3-ium-3-amine; (3,5-dimethylphenyl)methanesulfonate Openeye Name: 5-[2-[(2,6-dichlorophenyl)methoxy]ethyl]-4-methyl-thiazol-3-ium-3-amine; (3,5-dimethylphenyl)methanesulfonate CAS Name: 5-[2-[(2,6-dichlorophenyl)methoxy]ethyl]-4-methyl-3-thiazol-3-iumamine; (3,5-dimethylphenyl)methanesulfonate IUPAC Name: 5-[2-[(2,6-dichlorophenyl)methoxy]ethyl]-4-methyl-1,3-thiazol-3-ium-3-amine; (3,5-dimethylphenyl)methanesulfonate Traditional Name: [5-[2-(2,6-dichlorobenzyl)oxyethyl]-4-methyl-thiazol-3-ium-3-yl]amine; (3,5-dimethylphenyl)methanesulfonate Formula: C22H26Cl2N2O4S2 MolecularWeight: 517.48884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CS(=O)(=O)[O-])C.CC1=C(SC=[N+]1N)CCOCC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CC1=CC(=CC(=C1)CS(=O)(=O)[O-])C.CC1=C(SC=[N+]1N)CCOCC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C13H15Cl2N2OS.C9H12O3S/c1-9-13(19-8-17(9)16)5-6-18-7-10-11(14)3-2-4-12(10)15;1-7-3-8(2)5-9(4-7)6-13(10,11)12/h2-4,8H,5-7,16H2,1H3;3-5H,6H2,1-2H3,(H,10,11,12)/q+1;/p-1