1-cyano-3,3-bis(2-dimethylaminoethyl)-1-(2-pyridin-2-ylethyl)guanidine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 1-cyano-3,3-bis(2-dimethylaminoethyl)-1-(2-pyridin-2-ylethyl)guanidine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 1-cyano-3,3-bis(2-dimethylaminoethyl)-1-[2-(2-pyridyl)ethyl]guanidine CAS Name: 1-cyano-3,3-bis(2-dimethylaminoethyl)-1-[2-(2-pyridinyl)ethyl]guanidine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 1-cyano-3,3-bis(2-dimethylaminoethyl)-1-(2-pyridin-2-ylethyl)guanidine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 1-cyano-3,3-bis(2-dimethylaminoethyl)-1-[2-(2-pyridyl)ethyl]guanidine Formula: C23H37N7O7 MolecularWeight: 523.58258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CCN(C)C)C(=N)N(CCC1=CC=CC=N1)C#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN(C)CCN(CCN(C)C)C(=N)N(CCC1=CC=CC=N1)C#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C17H29N7.C6H8O7/c1-21(2)11-13-23(14-12-22(3)4)17(19)24(15-18)10-8-16-7-5-6-9-20-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,9,19H,8,10-14H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)