(3-carboxy-1-oxidanyl-6-sulfo-hexan-3-yl)-[1-(dodecylamino)-4-oxidanyl-butan-2-yl]-dimethyl-azanium

Systemtic Name: (3-carboxy-1-oxidanyl-6-sulfo-hexan-3-yl)-[1-(dodecylamino)-4-oxidanyl-butan-2-yl]-dimethyl-azanium Openeye Name: [1-carboxy-1-(2-hydroxyethyl)-4-sulfo-butyl]-[1-[(dodecylamino)methyl]-3-hydroxy-propyl]-dimethyl-ammonium CAS Name: (3-carboxy-1-hydroxy-6-sulfohexan-3-yl)-[1-(dodecylamino)-4-hydroxybutan-2-yl]-dimethylammonium IUPAC Name: (3-carboxy-1-hydroxy-6-sulfohexan-3-yl)-[1-(dodecylamino)-4-hydroxybutan-2-yl]-dimethylazanium Traditional Name: [1-carboxy-1-(2-hydroxyethyl)-4-sulfo-butyl]-[3-hydroxy-1-[(laurylamino)methyl]propyl]-dimethyl-ammonium Formula: C25H53N2O7S+ MolecularWeight: 525.76252

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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)/p+1