N1-[5-[3,4-bis(chloranyl)phenoxy]-6-methoxy-4-methyl-quinolin-8-yl]pentane-1,4-diamine phosphate

Systemtic Name: N1-[5-[3,4-bis(chloranyl)phenoxy]-6-methoxy-4-methyl-quinolin-8-yl]pentane-1,4-diamine phosphate Openeye Name: N1-[5-(3,4-dichlorophenoxy)-6-methoxy-4-methyl-8-quinolyl]pentane-1,4-diamine phosphate CAS Name: N1-[5-(3,4-dichlorophenoxy)-6-methoxy-4-methyl-8-quinolinyl]pentane-1,4-diamine phosphate IUPAC Name: 1-N-[5-(3,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-yl]pentane-1,4-diamine phosphate Traditional Name: 4-aminopentyl-[5-(3,4-dichlorophenoxy)-6-methoxy-4-methyl-8-quinolyl]amine phosphate Formula: C22H25Cl2N3O6P-3 MolecularWeight: 529.330161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C(C2=NC=C1)NCCCC(C)N)OC)OC3=CC(=C(C=C3)Cl)Cl.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1=C2C(=C(C=C(C2=NC=C1)NCCCC(C)N)OC)OC3=CC(=C(C=C3)Cl)Cl.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C22H25Cl2N3O2.H3O4P/c1-13-8-10-27-21-18(26-9-4-5-14(2)25)12-19(28-3)22(20(13)21)29-15-6-7-16(23)17(24)11-15;1-5(2,3)4/h6-8,10-12,14,26H,4-5,9,25H2,1-3H3;(H3,1,2,3,4)/p-3