4-[(7-chloranylquinolin-4-yl)azaniumyl]pentyl-diethyl-azanium; dihydrogen phosphate

Systemtic Name: 4-[(7-chloranylquinolin-4-yl)azaniumyl]pentyl-diethyl-azanium; dihydrogen phosphate Openeye Name: 4-[(7-chloro-4-quinolyl)ammonio]pentyl-diethyl-ammonium; dihydrogen phosphate CAS Name: 4-[(7-chloro-4-quinolinyl)ammonio]pentyl-diethylammonium; dihydrogen phosphate IUPAC Name: 4-[(7-chloroquinolin-4-yl)azaniumyl]pentyl-diethylazanium; dihydrogen phosphate Traditional Name: 4-[(7-chloro-4-quinolyl)ammonio]pentyl-diethyl-ammonium; dihydrogen phosphate Formula: C18H32ClN3O8P2 MolecularWeight: 515.862502

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)[NH2+]C1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)[O-].OP(=O)(O)[O-]

Isomeric SMILES

CC[NH+](CC)CCCC(C)[NH2+]C1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)[O-].OP(=O)(O)[O-]

InChI

InChI=1S/C18H26ClN3.2H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*(H3,1,2,3,4)