N4-(7-bromanylquinolin-4-yl)-N1,N1-dimethyl-pentane-1,4-diamine; phosphoric acid

Systemtic Name: N4-(7-bromanylquinolin-4-yl)-N1,N1-dimethyl-pentane-1,4-diamine; phosphoric acid Openeye Name: N4-(7-bromo-4-quinolyl)-N1,N1-dimethyl-pentane-1,4-diamine; phosphoric acid CAS Name: N4-(7-bromo-4-quinolinyl)-N1,N1-dimethylpentane-1,4-diamine; phosphoric acid IUPAC Name: 4-N-(7-bromoquinolin-4-yl)-1-N,1-N-dimethylpentane-1,4-diamine; phosphoric acid Traditional Name: 4-[(7-bromo-4-quinolyl)amino]pentyl-dimethyl-amine; phosphoric acid Formula: C16H28BrN3O8P2 MolecularWeight: 532.260342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN(C)C)NC1=C2C=CC(=CC2=NC=C1)Br.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

CC(CCCN(C)C)NC1=C2C=CC(=CC2=NC=C1)Br.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C16H22BrN3.2H3O4P/c1-12(5-4-10-20(2)3)19-15-8-9-18-16-11-13(17)6-7-14(15)16;2*1-5(2,3)4/h6-9,11-12H,4-5,10H2,1-3H3,(H,18,19);2*(H3,1,2,3,4)