1-hydroxyethyl-bis(2-oxidanyldodecyl)-(1-oxidanyl-1-oxidanylidene-pentan-2-yl)azanium

Systemtic Name: 1-hydroxyethyl-bis(2-oxidanyldodecyl)-(1-oxidanyl-1-oxidanylidene-pentan-2-yl)azanium Openeye Name: 1-carboxybutyl-bis(2-hydroxydodecyl)-(1-hydroxyethyl)ammonium CAS Name: bis(2-hydroxydodecyl)-(1-hydroxyethyl)-(1-hydroxy-1-oxopentan-2-yl)ammonium IUPAC Name: bis(2-hydroxydodecyl)-(1-hydroxyethyl)-(1-hydroxy-1-oxopentan-2-yl)azanium Traditional Name: 1-carboxybutyl-bis(2-hydroxydodecyl)-(1-hydroxyethyl)ammonium Formula: C31H64NO5+ MolecularWeight: 530.84356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C[N+](CC(CCCCCCCCCC)O)(C(C)O)C(CCC)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCC(C[N+](CC(CCCCCCCCCC)O)(C(C)O)C(CCC)C(=O)O)O

InChI

InChI=1S/C31H63NO5/c1-5-8-10-12-14-16-18-20-23-28(34)25-32(27(4)33,30(22-7-3)31(36)37)26-29(35)24-21-19-17-15-13-11-9-6-2/h27-30,33-35H,5-26H2,1-4H3/p+1