1-chloranyl-3-[3-(3-chloranyl-2-oxidanyl-propyl)-5-methyl-2-phenyl-imidazol-3-ium-1-yl]propan-2-ol sulfate

Systemtic Name: 1-chloranyl-3-[3-(3-chloranyl-2-oxidanyl-propyl)-5-methyl-2-phenyl-imidazol-3-ium-1-yl]propan-2-ol sulfate Openeye Name: 1-chloro-3-[3-(3-chloro-2-hydroxy-propyl)-5-methyl-2-phenyl-imidazol-3-ium-1-yl]propan-2-ol sulfate CAS Name: 1-chloro-3-[3-(3-chloro-2-hydroxypropyl)-5-methyl-2-phenyl-1-imidazol-3-iumyl]-2-propanol sulfate IUPAC Name: 1-chloro-3-[3-(3-chloro-2-hydroxypropyl)-5-methyl-2-phenylimidazol-3-ium-1-yl]propan-2-ol sulfate Traditional Name: 1-chloro-3-[3-(3-chloro-2-hydroxy-propyl)-5-methyl-2-phenyl-imidazol-3-ium-1-yl]propan-2-ol sulfate Formula: C32H42Cl4N4O8S MolecularWeight: 784.57488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(N1CC(CCl)O)C2=CC=CC=C2)CC(CCl)O.CC1=C[N+](=C(N1CC(CCl)O)C2=CC=CC=C2)CC(CCl)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=C[N+](=C(N1CC(CCl)O)C2=CC=CC=C2)CC(CCl)O.CC1=C[N+](=C(N1CC(CCl)O)C2=CC=CC=C2)CC(CCl)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C16H21Cl2N2O2.H2O4S/c2*1-12-9-19(10-14(21)7-17)16(13-5-3-2-4-6-13)20(12)11-15(22)8-18;1-5(2,3)4/h2*2-6,9,14-15,21-22H,7-8,10-11H2,1H3;(H2,1,2,3,4)/q2*+1;/p-2