2-(2-cyclopentyl-3-methoxy-3-oxidanylidene-2-phenyl-propanoyl)oxyethyl-trimethyl-azanium; methyl sulfate

Systemtic Name: 2-(2-cyclopentyl-3-methoxy-3-oxidanylidene-2-phenyl-propanoyl)oxyethyl-trimethyl-azanium; methyl sulfate Openeye Name: 2-(2-cyclopentyl-3-methoxy-3-oxo-2-phenyl-propanoyl)oxyethyl-trimethyl-ammonium; methyl sulfate CAS Name: 2-(2-cyclopentyl-3-methoxy-1,3-dioxo-2-phenylpropoxy)ethyl-trimethylammonium; methyl sulfate IUPAC Name: 2-(2-cyclopentyl-3-methoxy-3-oxo-2-phenylpropanoyl)oxyethyl-trimethylazanium; methyl sulfate Traditional Name: 2-(2-cyclopentyl-3-keto-3-methoxy-2-phenyl-propanoyl)oxyethyl-trimethyl-ammonium; methyl sulfate Formula: C21H33NO8S MolecularWeight: 459.55362

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)C(C1CCCC1)(C2=CC=CC=C2)C(=O)OC.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCOC(=O)C(C1CCCC1)(C2=CC=CC=C2)C(=O)OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C20H30NO4.CH4O4S/c1-21(2,3)14-15-25-19(23)20(18(22)24-4,17-12-8-9-13-17)16-10-6-5-7-11-16;1-5-6(2,3)4/h5-7,10-11,17H,8-9,12-15H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1