(4-cyanophenyl)methylazanium; methanesulfonate

Systemtic Name: (4-cyanophenyl)methylazanium; methanesulfonate Openeye Name: (4-cyanophenyl)methylammonium; methanesulfonate CAS Name: (4-cyanophenyl)methylammonium; methanesulfonate IUPAC Name: (4-cyanophenyl)methylazanium; methanesulfonate Traditional Name: (4-cyanobenzyl)ammonium mesylate Formula: C9H12N2O3S MolecularWeight: 228.26818

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC(=CC=C1C[NH3+])C#N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC(=CC=C1C[NH3+])C#N

InChI

InChI=1S/C8H8N2.CH4O3S/c9-5-7-1-2-8(6-10)4-3-7;1-5(2,3)4/h1-4H,5,9H2;1H3,(H,2,3,4)