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

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

Systemtic Name:4-[methyl-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]azaniumyl]butane-1-sulfonate
Openeye Name:4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonio]butane-1-sulfonate
CAS Name:4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonio]-1-butanesulfonate
IUPAC Name:4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azaniumyl]butane-1-sulfonate
Traditional Name:4-[(2-keto-2-mesidino-ethyl)-methyl-ammonio]butane-1-sulfonate
Formula: C16H26N2O4S
MolecularWeight: 342.45364
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H26N2O4S/c1-12-9-13(2)16(14(3)10-12)17-15(19)11-18(4)7-5-6-8-23(20,21)22/h9-10H,5-8,11H2,1-4H3,(H,17,19)(H,20,21,22)


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