(2-carboxy-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-dimethyl-[(octadecanoylamino)methyl]azanium

Systemtic Name: (2-carboxy-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-dimethyl-[(octadecanoylamino)methyl]azanium Openeye Name: 1,1-dicarboxybutyl-dimethyl-[(octadecanoylamino)methyl]ammonium CAS Name: (2-carboxy-1-hydroxy-1-oxopentan-2-yl)-dimethyl-[(1-oxooctadecylamino)methyl]ammonium IUPAC Name: (2-carboxy-1-hydroxy-1-oxopentan-2-yl)-dimethyl-[(octadecanoylamino)methyl]azanium Traditional Name: 1,1-dicarboxybutyl-dimethyl-(stearamidomethyl)ammonium Formula: C27H53N2O5+ MolecularWeight: 485.72012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC[N+](C)(C)C(CCC)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC[N+](C)(C)C(CCC)(C(=O)O)C(=O)O

InChI

InChI=1S/C27H52N2O5/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(30)28-23-29(3,4)27(22-6-2,25(31)32)26(33)34/h5-23H2,1-4H3,(H2-,28,30,31,32,33,34)/p+1