dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-(4-oxidanylbutyl)azanium; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-(4-oxidanylbutyl)azanium; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 4-hydroxybutyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]ammonium citrate CAS Name: 4-hydroxybutyl-dimethyl-[3-[(2-methyl-1-oxoprop-2-enyl)amino]propyl]ammonium; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 4-hydroxybutyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 4-hydroxybutyl-(3-methacrylamidopropyl)-dimethyl-ammonium citrate Formula: C45H86N6O13 MolecularWeight: 919.19674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)NCCC[N+](C)(C)CCCCO.CC(=C)C(=O)NCCC[N+](C)(C)CCCCO.CC(=C)C(=O)NCCC[N+](C)(C)CCCCO.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC(=C)C(=O)NCCC[N+](C)(C)CCCCO.CC(=C)C(=O)NCCC[N+](C)(C)CCCCO.CC(=C)C(=O)NCCC[N+](C)(C)CCCCO.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/3C13H26N2O2.C6H8O7/c3*1-12(2)13(17)14-8-7-10-15(3,4)9-5-6-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h3*16H,1,5-11H2,2-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)