2-oxidanylpropane-1,2,3-tricarboxylate; 3-(2-pyridin-2-ylethyl)-1,1-bis(2-pyrrolidin-1-ylethyl)urea

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 3-(2-pyridin-2-ylethyl)-1,1-bis(2-pyrrolidin-1-ylethyl)urea Openeye Name: 3-[2-(2-pyridyl)ethyl]-1,1-bis(2-pyrrolidin-1-ylethyl)urea citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 3-[2-(2-pyridinyl)ethyl]-1,1-bis[2-(1-pyrrolidinyl)ethyl]urea IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 3-(2-pyridin-2-ylethyl)-1,1-bis(2-pyrrolidin-1-ylethyl)urea Traditional Name: 3-[2-(2-pyridyl)ethyl]-1,1-bis(2-pyrrolidinoethyl)urea citrate Formula: C26H38N5O8-3 MolecularWeight: 548.60862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN(CCN2CCCC2)C(=O)NCCC3=CC=CC=N3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C1CCN(C1)CCN(CCN2CCCC2)C(=O)NCCC3=CC=CC=N3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C20H33N5O.C6H8O7/c26-20(22-10-8-19-7-1-2-9-21-19)25(17-15-23-11-3-4-12-23)18-16-24-13-5-6-14-24;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-2,7,9H,3-6,8,10-18H2,(H,22,26);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3