dimethyl(1-phenyltridecan-2-yl)azanium; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: dimethyl(1-phenyltridecan-2-yl)azanium; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-benzyldodecyl(dimethyl)ammonium citrate CAS Name: dimethyl(1-phenyltridecan-2-yl)ammonium; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: dimethyl(1-phenyltridecan-2-yl)azanium; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-benzyldodecyl(dimethyl)ammonium citrate Formula: C27H43NO7-2 MolecularWeight: 493.63282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1=CC=CC=C1)[NH+](C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCC(CC1=CC=CC=C1)[NH+](C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C21H37N.C6H8O7/c1-4-5-6-7-8-9-10-11-15-18-21(22(2)3)19-20-16-13-12-14-17-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h12-14,16-17,21H,4-11,15,18-19H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2