[cyano-(3-phenoxyphenyl)methyl]-dimethyl-(2-methylpropyl)azanium; methyl sulfate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl]-dimethyl-(2-methylpropyl)azanium; methyl sulfate Openeye Name: [cyano-(3-phenoxyphenyl)methyl]-isobutyl-dimethyl-ammonium; methyl sulfate CAS Name: [cyano-(3-phenoxyphenyl)methyl]-dimethyl-(2-methylpropyl)ammonium; methyl sulfate IUPAC Name: [cyano-(3-phenoxyphenyl)methyl]-dimethyl-(2-methylpropyl)azanium; methyl sulfate Traditional Name: [cyano-(3-phenoxyphenyl)methyl]-isobutyl-dimethyl-ammonium; methyl sulfate Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N2O.CH4O4S/c1-16(2)15-22(3,4)20(14-21)17-9-8-12-19(13-17)23-18-10-6-5-7-11-18;1-5-6(2,3)4/h5-13,16,20H,15H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1