methyl sulfate; trimethyl-[3-(phenylcarbamoyloxy)phenyl]azanium

Systemtic Name: methyl sulfate; trimethyl-[3-(phenylcarbamoyloxy)phenyl]azanium Openeye Name: methyl sulfate; trimethyl-[3-(phenylcarbamoyloxy)phenyl]ammonium CAS Name: [3-[anilino(oxo)methoxy]phenyl]-trimethylammonium; methyl sulfate IUPAC Name: methyl sulfate; trimethyl-[3-(phenylcarbamoyloxy)phenyl]azanium Traditional Name: methyl sulfate; trimethyl-[3-(phenylcarbamoyloxy)phenyl]ammonium Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC(=CC=C1)OC(=O)NC2=CC=CC=C2.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C1=CC(=CC=C1)OC(=O)NC2=CC=CC=C2.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H18N2O2.CH4O4S/c1-18(2,3)14-10-7-11-15(12-14)20-16(19)17-13-8-5-4-6-9-13;1-5-6(2,3)4/h4-12H,1-3H3;1H3,(H,2,3,4)