dimethyl-bis(2-phenoxycarbonyloxyethyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl-bis(2-phenoxycarbonyloxyethyl)azanium; 4-methylbenzenesulfonate Openeye Name: dimethyl-bis(2-phenoxycarbonyloxyethyl)ammonium; 4-methylbenzenesulfonate CAS Name: dimethyl-bis[2-[oxo(phenoxy)methoxy]ethyl]ammonium; 4-methylbenzenesulfonate IUPAC Name: dimethyl-bis(2-phenoxycarbonyloxyethyl)azanium; 4-methylbenzenesulfonate Traditional Name: bis(2-carbophenoxyoxyethyl)-dimethyl-ammonium tosylate Formula: C27H31NO9S MolecularWeight: 545.60134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24NO6.C7H8O3S/c1-21(2,13-15-24-19(22)26-17-9-5-3-6-10-17)14-16-25-20(23)27-18-11-7-4-8-12-18;1-6-2-4-7(5-3-6)11(8,9)10/h3-12H,13-16H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1