ethyl-methyl-bis(2-phenoxycarbonyloxyethyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: ethyl-methyl-bis(2-phenoxycarbonyloxyethyl)azanium; 4-methylbenzenesulfonate Openeye Name: ethyl-methyl-bis(2-phenoxycarbonyloxyethyl)ammonium; 4-methylbenzenesulfonate CAS Name: ethyl-methyl-bis[2-[oxo(phenoxy)methoxy]ethyl]ammonium; 4-methylbenzenesulfonate IUPAC Name: ethyl-methyl-bis(2-phenoxycarbonyloxyethyl)azanium; 4-methylbenzenesulfonate Traditional Name: bis(2-carbophenoxyoxyethyl)-ethyl-methyl-ammonium tosylate Formula: C28H33NO9S MolecularWeight: 559.62792

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CCOC(=O)OC1=CC=CC=C1)CCOC(=O)OC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+](C)(CCOC(=O)OC1=CC=CC=C1)CCOC(=O)OC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C21H26NO6.C7H8O3S/c1-3-22(2,14-16-25-20(23)27-18-10-6-4-7-11-18)15-17-26-21(24)28-19-12-8-5-9-13-19;1-6-2-4-7(5-3-6)11(8,9)10/h4-13H,3,14-17H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1