1,3-bis(1-methylquinolin-1-ium-6-yl)urea; methyl sulfate

Systemtic Name: 1,3-bis(1-methylquinolin-1-ium-6-yl)urea; methyl sulfate Openeye Name: 1,3-bis(1-methylquinolin-1-ium-6-yl)urea; methyl sulfate CAS Name: 1,3-bis(1-methyl-6-quinolin-1-iumyl)urea; methyl sulfate IUPAC Name: 1,3-bis(1-methylquinolin-1-ium-6-yl)urea; methyl sulfate Traditional Name: 1,3-bis(1-methylquinolin-1-ium-6-yl)urea; methyl sulfate Formula: C23H26N4O9S2 MolecularWeight: 566.60394

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)[N+](=CC=C4)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)[N+](=CC=C4)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C21H19N4O.2CH4O4S/c1-24-11-3-5-15-13-17(7-9-19(15)24)22-21(26)23-18-8-10-20-16(14-18)6-4-12-25(20)2;2*1-5-6(2,3)4/h3-14H,1-2H3,(H-,22,23,26);2*1H3,(H,2,3,4)/q+1;;/p-1