3-[methyl-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[methyl-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]azaniumyl]propane-1-sulfonate Openeye Name: 3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonio]propane-1-sulfonate CAS Name: 3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonio]-1-propanesulfonate IUPAC Name: 3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azaniumyl]propane-1-sulfonate Traditional Name: 3-[(2-keto-2-mesidino-ethyl)-methyl-ammonio]propane-1-sulfonate Formula: C15H24N2O4S MolecularWeight: 328.42706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+](C)CCCS(=O)(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+](C)CCCS(=O)(=O)[O-])C

InChI

InChI=1S/C15H24N2O4S/c1-11-8-12(2)15(13(3)9-11)16-14(18)10-17(4)6-5-7-22(19,20)21/h8-9H,5-7,10H2,1-4H3,(H,16,18)(H,19,20,21)