2-(4-ethylpiperazin-1-yl)-4-phenyl-quinoline; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2-(4-ethylpiperazin-1-yl)-4-phenyl-quinoline; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2-(4-ethylpiperazin-1-yl)-4-phenyl-quinoline citrate CAS Name: 2-(4-ethyl-1-piperazinyl)-4-phenylquinoline; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-(4-ethylpiperazin-1-yl)-4-phenylquinoline; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-(4-ethylpiperazino)-4-phenyl-quinoline citrate Formula: C27H28N3O7-3 MolecularWeight: 506.52712

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C4=CC=CC=C4.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C4=CC=CC=C4.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C21H23N3.C6H8O7/c1-2-23-12-14-24(15-13-23)21-16-19(17-8-4-3-5-9-17)18-10-6-7-11-20(18)22-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11,16H,2,12-15H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3