[5-azanyl-1,4-bis(oxidanyl)-1-oxidanylidene-2-sulfo-pentan-2-yl]-dimethyl-(2-methyltetradecan-2-yl)azanium

Systemtic Name: [5-azanyl-1,4-bis(oxidanyl)-1-oxidanylidene-2-sulfo-pentan-2-yl]-dimethyl-(2-methyltetradecan-2-yl)azanium Openeye Name: (4-amino-1-carboxy-3-hydroxy-1-sulfo-butyl)-(1,1-dimethyltridecyl)-dimethyl-ammonium CAS Name: (5-amino-1,4-dihydroxy-1-oxo-2-sulfopentan-2-yl)-dimethyl-(2-methyltetradecan-2-yl)ammonium IUPAC Name: (5-amino-1,4-dihydroxy-1-oxo-2-sulfopentan-2-yl)-dimethyl-(2-methyltetradecan-2-yl)azanium Traditional Name: (4-amino-1-carboxy-3-hydroxy-1-sulfo-butyl)-(1,1-dimethyltridecyl)-dimethyl-ammonium Formula: C22H47N2O6S+ MolecularWeight: 467.68338

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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)/p+1