dimethyl-(4-naphthalen-2-ylbutyl)-phenyl-azanium; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: dimethyl-(4-naphthalen-2-ylbutyl)-phenyl-azanium; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: dimethyl-[4-(2-naphthyl)butyl]-phenyl-ammonium citrate CAS Name: dimethyl-[4-(2-naphthalenyl)butyl]-phenylammonium; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: dimethyl-(4-naphthalen-2-ylbutyl)-phenylazanium; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: dimethyl-[4-(2-naphthyl)butyl]-phenyl-ammonium citrate Formula: C28H31NO7-2 MolecularWeight: 493.54824

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCC1=CC2=CC=CC=C2C=C1)C3=CC=CC=C3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C[N+](C)(CCCCC1=CC2=CC=CC=C2C=C1)C3=CC=CC=C3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C22H26N.C6H8O7/c1-23(2,22-13-4-3-5-14-22)17-9-8-10-19-15-16-20-11-6-7-12-21(20)18-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-7,11-16,18H,8-10,17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/q+1;/p-3