1,3-bis[3,5-bis(4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]urea tetrachloride

Systemtic Name: 1,3-bis[3,5-bis(4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]urea tetrachloride Openeye Name: 1,3-bis[3,5-bis(4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]urea tetrachloride CAS Name: 1,3-bis[3,5-bis(4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]urea tetrachloride IUPAC Name: 1,3-bis[3,5-bis(4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]urea tetrachloride Traditional Name: 1,3-bis[3,5-bis(2-imidazolin-1-ium-2-yl)phenyl]urea tetrachloride Formula: C25H32Cl4N10O MolecularWeight: 630.39998

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(N1)C2=CC(=CC(=C2)NC(=O)NC3=CC(=CC(=C3)C4=[NH+]CCN4)C5=[NH+]CCN5)C6=[NH+]CCN6.[Cl-].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C1C[NH+]=C(N1)C2=CC(=CC(=C2)NC(=O)NC3=CC(=CC(=C3)C4=[NH+]CCN4)C5=[NH+]CCN5)C6=[NH+]CCN6.[Cl-].[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C25H28N10O.4ClH/c36-25(34-19-11-15(21-26-1-2-27-21)9-16(12-19)22-28-3-4-29-22)35-20-13-17(23-30-5-6-31-23)10-18(14-20)24-32-7-8-33-24;;;;/h9-14H,1-8H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H2,34,35,36);4*1H