carbonic acid; 2,4,6-tris[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-5,8-dione

Systemtic Name: carbonic acid; 2,4,6-tris[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-5,8-dione Openeye Name: carbonic acid; 2,4,6-tris[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-5,8-dione CAS Name: carbonic acid; 2,4,6-tris[4-(2-hydroxyethyl)-1-piperazinyl]quinoline-5,8-dione IUPAC Name: carbonic acid; 2,4,6-tris[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-5,8-dione Traditional Name: carbonic acid; 2,4,6-tris[4-(2-hydroxyethyl)piperazino]quinoline-5,8-quinone Formula: C28H43N7O8 MolecularWeight: 605.68312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=CC(=O)C3=C(C2=O)C(=CC(=N3)N4CCN(CC4)CCO)N5CCN(CC5)CCO.C(=O)(O)O

Isomeric SMILES

C1CN(CCN1CCO)C2=CC(=O)C3=C(C2=O)C(=CC(=N3)N4CCN(CC4)CCO)N5CCN(CC5)CCO.C(=O)(O)O

InChI

InChI=1S/C27H41N7O5.CH2O3/c35-16-13-29-1-7-32(8-2-29)21-20-24(34-11-5-31(6-12-34)15-18-37)28-26-23(38)19-22(27(39)25(21)26)33-9-3-30(4-10-33)14-17-36;2-1(3)4/h19-20,35-37H,1-18H2;(H2,2,3,4)