dimethyl-[1-(2-methylphenyl)-3-phenyl-butyl]azanium; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: dimethyl-[1-(2-methylphenyl)-3-phenyl-butyl]azanium; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: dimethyl-[1-(o-tolyl)-3-phenyl-butyl]ammonium citrate CAS Name: dimethyl-[1-(2-methylphenyl)-3-phenylbutyl]ammonium; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: dimethyl-[1-(2-methylphenyl)-3-phenylbutyl]azanium; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: dimethyl-[1-(o-tolyl)-3-phenyl-butyl]ammonium citrate Formula: C25H31NO7-2 MolecularWeight: 457.51614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(C)C2=CC=CC=C2)[NH+](C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC1=CC=CC=C1C(CC(C)C2=CC=CC=C2)[NH+](C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C19H25N.C6H8O7/c1-15-10-8-9-13-18(15)19(20(3)4)14-16(2)17-11-6-5-7-12-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-13,16,19H,14H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2