ethanedioate; 1,1,3-trimethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea

Systemtic Name: ethanedioate; 1,1,3-trimethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea Openeye Name: oxalate; 1,1,3-trimethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea CAS Name: oxalate; 1,1,3-trimethyl-3-[4-(1-pyrrolidinyl)but-2-ynyl]urea IUPAC Name: oxalate; 1,1,3-trimethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea Traditional Name: oxalate; 1,1,3-trimethyl-3-(4-pyrrolidinobut-2-ynyl)urea Formula: C14H21N3O5-2 MolecularWeight: 311.33364

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N(C)CC#CCN1CCCC1.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CN(C)C(=O)N(C)CC#CCN1CCCC1.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C12H21N3O.C2H2O4/c1-13(2)12(16)14(3)8-4-5-9-15-10-6-7-11-15;3-1(4)2(5)6/h6-11H2,1-3H3;(H,3,4)(H,5,6)/p-2