[cyano-(3-phenoxyphenyl)methyl]-trimethyl-azanium; methyl sulfate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl]-trimethyl-azanium; methyl sulfate Openeye Name: [cyano-(3-phenoxyphenyl)methyl]-trimethyl-ammonium; methyl sulfate CAS Name: [cyano-(3-phenoxyphenyl)methyl]-trimethylammonium; methyl sulfate IUPAC Name: [cyano-(3-phenoxyphenyl)methyl]-trimethylazanium; methyl sulfate Traditional Name: [cyano-(3-phenoxyphenyl)methyl]-trimethyl-ammonium; methyl sulfate Formula: C18H22N2O5S MolecularWeight: 378.44268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2.COS(=O)(=O)[O-]

InChI

InChI=1S/C17H19N2O.CH4O4S/c1-19(2,3)17(13-18)14-8-7-11-16(12-14)20-15-9-5-4-6-10-15;1-5-6(2,3)4/h4-12,17H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1