1-cyano-1,3-bis(2-diethylaminoethyl)-3-(3-phenylpropyl)guanidine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 1-cyano-1,3-bis(2-diethylaminoethyl)-3-(3-phenylpropyl)guanidine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 1-cyano-1,3-bis(2-diethylaminoethyl)-3-(3-phenylpropyl)guanidine CAS Name: 1-cyano-1,3-bis(2-diethylaminoethyl)-3-(3-phenylpropyl)guanidine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 1-cyano-1,3-bis(2-diethylaminoethyl)-3-(3-phenylpropyl)guanidine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 1-cyano-1,3-bis(2-diethylaminoethyl)-3-(3-phenylpropyl)guanidine Formula: C29H48N6O7 MolecularWeight: 592.72742

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CCCC1=CC=CC=C1)C(=N)N(CCN(CC)CC)C#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCN(CCCC1=CC=CC=C1)C(=N)N(CCN(CC)CC)C#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C23H40N6.C6H8O7/c1-5-26(6-2)17-19-28(16-12-15-22-13-10-9-11-14-22)23(25)29(21-24)20-18-27(7-3)8-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-11,13-14,25H,5-8,12,15-20H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)