1,3-bis[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]propan-2-ol tetraphosphate

Systemtic Name: 1,3-bis[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]propan-2-ol tetraphosphate Openeye Name: 1,3-bis[4-(7-chloro-4-quinolyl)piperazin-1-yl]propan-2-ol tetraphosphate CAS Name: 1,3-bis[4-(7-chloro-4-quinolinyl)-1-piperazinyl]-2-propanol tetraphosphate IUPAC Name: 1,3-bis[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol tetraphosphate Traditional Name: 1,3-bis[4-(7-chloro-4-quinolyl)piperazino]propan-2-ol tetraphosphate Formula: C29H32Cl2N6O17P4-12 MolecularWeight: 931.395424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)O)C5=C6C=CC(=CC6=NC=C5)Cl.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1CN(CCN1CC(CN2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)O)C5=C6C=CC(=CC6=NC=C5)Cl.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C29H32Cl2N6O.4H3O4P/c30-21-1-3-24-26(17-21)32-7-5-28(24)36-13-9-34(10-14-36)19-23(38)20-35-11-15-37(16-12-35)29-6-8-33-27-18-22(31)2-4-25(27)29;4*1-5(2,3)4/h1-8,17-18,23,38H,9-16,19-20H2;4*(H3,1,2,3,4)/p-12