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

Systemtic Name: 1-chloranyl-3-[3-(3-chloranyl-2-oxidanyl-propyl)-2-phenyl-imidazol-3-ium-1-yl]propan-2-ol sulfate Openeye Name: 1-chloro-3-[3-(3-chloro-2-hydroxy-propyl)-2-phenyl-imidazol-3-ium-1-yl]propan-2-ol sulfate CAS Name: 1-chloro-3-[3-(3-chloro-2-hydroxypropyl)-2-phenyl-1-imidazol-3-iumyl]-2-propanol sulfate IUPAC Name: 1-chloro-3-[3-(3-chloro-2-hydroxypropyl)-2-phenylimidazol-3-ium-1-yl]propan-2-ol sulfate Traditional Name: 1-chloro-3-[3-(3-chloro-2-hydroxy-propyl)-2-phenyl-imidazol-3-ium-1-yl]propan-2-ol sulfate Formula: C30H38Cl4N4O8S MolecularWeight: 756.52172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[N+](C=CN2CC(CCl)O)CC(CCl)O.C1=CC=C(C=C1)C2=[N+](C=CN2CC(CCl)O)CC(CCl)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=[N+](C=CN2CC(CCl)O)CC(CCl)O.C1=CC=C(C=C1)C2=[N+](C=CN2CC(CCl)O)CC(CCl)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C15H19Cl2N2O2.H2O4S/c2*16-8-13(20)10-18-6-7-19(11-14(21)9-17)15(18)12-4-2-1-3-5-12;1-5(2,3)4/h2*1-7,13-14,20-21H,8-11H2;(H2,1,2,3,4)/q2*+1;/p-2