2-[[1-(dodecylamino)-4-oxidanyl-butan-2-yl]-dimethyl-azaniumyl]-2-(2-hydroxyethyl)-5-sulfo-pentanoate

Systemtic Name: 2-[[1-(dodecylamino)-4-oxidanyl-butan-2-yl]-dimethyl-azaniumyl]-2-(2-hydroxyethyl)-5-sulfo-pentanoate Openeye Name: 2-[[1-[(dodecylamino)methyl]-3-hydroxy-propyl]-dimethyl-ammonio]-2-(2-hydroxyethyl)-5-sulfo-pentanoate CAS Name: 2-[[1-(dodecylamino)-4-hydroxybutan-2-yl]-dimethylammonio]-2-(2-hydroxyethyl)-5-sulfopentanoate IUPAC Name: 2-[[1-(dodecylamino)-4-hydroxybutan-2-yl]-dimethylazaniumyl]-2-(2-hydroxyethyl)-5-sulfopentanoate Traditional Name: 2-(2-hydroxyethyl)-2-[[3-hydroxy-1-[(laurylamino)methyl]propyl]-dimethyl-ammonio]-5-sulfo-valerate Formula: C25H52N2O7S MolecularWeight: 524.75458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNCC(CCO)[N+](C)(C)C(CCCS(=O)(=O)O)(CCO)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCNCC(CCO)[N+](C)(C)C(CCCS(=O)(=O)O)(CCO)C(=O)[O-]

InChI

InChI=1S/C25H52N2O7S/c1-4-5-6-7-8-9-10-11-12-13-18-26-22-23(15-19-28)27(2,3)25(17-20-29,24(30)31)16-14-21-35(32,33)34/h23,26,28-29H,4-22H2,1-3H3,(H-,30,31,32,33,34)