5-azanyl-2-[dimethyl(2-methyltetradecan-2-yl)azaniumyl]-4-oxidanyl-2-sulfo-pentanoate

Systemtic Name: 5-azanyl-2-[dimethyl(2-methyltetradecan-2-yl)azaniumyl]-4-oxidanyl-2-sulfo-pentanoate Openeye Name: 5-amino-2-[1,1-dimethyltridecyl(dimethyl)ammonio]-4-hydroxy-2-sulfo-pentanoate CAS Name: 5-amino-2-[dimethyl(2-methyltetradecan-2-yl)ammonio]-4-hydroxy-2-sulfopentanoate IUPAC Name: 5-amino-2-[dimethyl(2-methyltetradecan-2-yl)azaniumyl]-4-hydroxy-2-sulfopentanoate Traditional Name: 5-amino-2-[1,1-dimethyltridecyl(dimethyl)ammonio]-4-hydroxy-2-sulfo-valerate Formula: C22H46N2O6S MolecularWeight: 466.67544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C)(C)[N+](C)(C)C(CC(CN)O)(C(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(C)(C)[N+](C)(C)C(CC(CN)O)(C(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C22H46N2O6S/c1-6-7-8-9-10-11-12-13-14-15-16-21(2,3)24(4,5)22(20(26)27,31(28,29)30)17-19(25)18-23/h19,25H,6-18,23H2,1-5H3,(H-,26,27,28,29,30)