2-(1-methylpyrrolidin-1-ium-1-yl)-2-(3-phenoxyphenyl)ethanenitrile; methyl sulfate

Systemtic Name: 2-(1-methylpyrrolidin-1-ium-1-yl)-2-(3-phenoxyphenyl)ethanenitrile; methyl sulfate Openeye Name: 2-(1-methylpyrrolidin-1-ium-1-yl)-2-(3-phenoxyphenyl)acetonitrile; methyl sulfate CAS Name: 2-(1-methyl-1-pyrrolidin-1-iumyl)-2-(3-phenoxyphenyl)acetonitrile; methyl sulfate IUPAC Name: 2-(1-methylpyrrolidin-1-ium-1-yl)-2-(3-phenoxyphenyl)acetonitrile; methyl sulfate Traditional Name: 2-(1-methylpyrrolidin-1-ium-1-yl)-2-(3-phenoxyphenyl)acetonitrile; methyl sulfate Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCCC1)C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C19H21N2O.CH4O4S/c1-21(12-5-6-13-21)19(15-20)16-8-7-11-18(14-16)22-17-9-3-2-4-10-17;1-5-6(2,3)4/h2-4,7-11,14,19H,5-6,12-13H2,1H3;1H3,(H,2,3,4)/q+1;/p-1