2-(tert-butylamino)-1-phenyl-ethanone; methanesulfonate

Systemtic Name: 2-(tert-butylamino)-1-phenyl-ethanone; methanesulfonate Openeye Name: 2-(tert-butylamino)-1-phenyl-ethanone; methanesulfonate CAS Name: 2-(tert-butylamino)-1-phenylethanone; methanesulfonate IUPAC Name: 2-(tert-butylamino)-1-phenylethanone; methanesulfonate Traditional Name: 2-(tert-butylamino)-1-phenyl-ethanone mesylate Formula: C13H20NO4S- MolecularWeight: 286.3672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(=O)C1=CC=CC=C1.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)NCC(=O)C1=CC=CC=C1.CS(=O)(=O)[O-]

InChI

InChI=1S/C12H17NO.CH4O3S/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10;1-5(2,3)4/h4-8,13H,9H2,1-3H3;1H3,(H,2,3,4)/p-1