N4-(7-chloranylquinolin-4-yl)-N1-(9,9-dimethyl-7,10,11-trioxaspiro[5.5]undecan-3-yl)cyclohexane-1,4-diamine; phosphoric acid

Systemtic Name: N4-(7-chloranylquinolin-4-yl)-N1-(9,9-dimethyl-7,10,11-trioxaspiro[5.5]undecan-3-yl)cyclohexane-1,4-diamine; phosphoric acid Openeye Name: N4-(7-chloro-4-quinolyl)-N1-(9,9-dimethyl-7,10,11-trioxaspiro[5.5]undecan-3-yl)cyclohexane-1,4-diamine; phosphoric acid CAS Name: N4-(7-chloro-4-quinolinyl)-N1-(9,9-dimethyl-7,10,11-trioxaspiro[5.5]undecan-3-yl)cyclohexane-1,4-diamine; phosphoric acid IUPAC Name: 4-N-(7-chloroquinolin-4-yl)-1-N-(9,9-dimethyl-7,10,11-trioxaspiro[5.5]undecan-3-yl)cyclohexane-1,4-diamine; phosphoric acid Traditional Name: (7-chloro-4-quinolyl)-[4-[(9,9-dimethyl-7,10,11-trioxaspiro[5.5]undecan-3-yl)amino]cyclohexyl]amine; phosphoric acid Formula: C25H40ClN3O11P2 MolecularWeight: 655.999122

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2(CCC(CC2)NC3CCC(CC3)NC4=C5C=CC(=CC5=NC=C4)Cl)OO1)C.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

CC1(COC2(CCC(CC2)NC3CCC(CC3)NC4=C5C=CC(=CC5=NC=C4)Cl)OO1)C.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C25H34ClN3O3.2H3O4P/c1-24(2)16-30-25(32-31-24)12-9-20(10-13-25)28-18-4-6-19(7-5-18)29-22-11-14-27-23-15-17(26)3-8-21(22)23;2*1-5(2,3)4/h3,8,11,14-15,18-20,28H,4-7,9-10,12-13,16H2,1-2H3,(H,27,29);2*(H3,1,2,3,4)