N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine; ethanoic acid; dihydrate

Systemtic Name: N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine; ethanoic acid; dihydrate Openeye Name: acetic acid; N,N'-bis(2-methyl-4-quinolyl)decane-1,10-diamine; dihydrate CAS Name: acetic acid; N,N'-bis(2-methyl-4-quinolinyl)decane-1,10-diamine; dihydrate IUPAC Name: acetic acid; N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine; dihydrate Traditional Name: acetic acid; (2-methyl-4-quinolyl)-[10-[(2-methyl-4-quinolyl)amino]decyl]amine; dihydrate Formula: C34H50N4O6 MolecularWeight: 610.784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NCCCCCCCCCCNC3=CC(=NC4=CC=CC=C43)C.CC(=O)O.CC(=O)O.O.O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NCCCCCCCCCCNC3=CC(=NC4=CC=CC=C43)C.CC(=O)O.CC(=O)O.O.O

InChI

InChI=1S/C30H38N4.2C2H4O2.2H2O/c1-23-21-29(25-15-9-11-17-27(25)33-23)31-19-13-7-5-3-4-6-8-14-20-32-30-22-24(2)34-28-18-12-10-16-26(28)30;2*1-2(3)4;;/h9-12,15-18,21-22H,3-8,13-14,19-20H2,1-2H3,(H,31,33)(H,32,34);2*1H3,(H,3,4);2*1H2