methyl-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-(2-phenoxysulfonylethyl)azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-(2-phenoxysulfonylethyl)azanium Openeye Name: methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-(2-phenoxysulfonylethyl)ammonium CAS Name: methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-(2-phenoxysulfonylethyl)ammonium IUPAC Name: methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-(2-phenoxysulfonylethyl)azanium Traditional Name: (2-keto-2-mesidino-ethyl)-methyl-(2-phenoxysulfonylethyl)ammonium Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+](C)CCS(=O)(=O)OC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+](C)CCS(=O)(=O)OC2=CC=CC=C2)C

InChI

InChI=1S/C20H26N2O4S/c1-15-12-16(2)20(17(3)13-15)21-19(23)14-22(4)10-11-27(24,25)26-18-8-6-5-7-9-18/h5-9,12-13H,10-11,14H2,1-4H3,(H,21,23)/p+1