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

Systemtic Name: 1-chloranyl-3-[3-[3-(3-chloranyl-2-oxidanyl-propyl)-2-phenyl-imidazol-3-ium-1-yl]propylamino]propan-2-ol sulfate Openeye Name: 1-chloro-3-[3-[3-(3-chloro-2-hydroxy-propyl)-2-phenyl-imidazol-3-ium-1-yl]propylamino]propan-2-ol sulfate CAS Name: 1-chloro-3-[3-[3-(3-chloro-2-hydroxypropyl)-2-phenyl-1-imidazol-3-iumyl]propylamino]-2-propanol sulfate IUPAC Name: 1-chloro-3-[3-[3-(3-chloro-2-hydroxypropyl)-2-phenylimidazol-3-ium-1-yl]propylamino]propan-2-ol sulfate Traditional Name: 1-chloro-3-[3-[3-(3-chloro-2-hydroxy-propyl)-2-phenyl-imidazol-3-ium-1-yl]propylamino]propan-2-ol sulfate Formula: C36H52Cl4N6O8S MolecularWeight: 870.71048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[N+](C=CN2CCCNCC(CCl)O)CC(CCl)O.C1=CC=C(C=C1)C2=[N+](C=CN2CCCNCC(CCl)O)CC(CCl)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=[N+](C=CN2CCCNCC(CCl)O)CC(CCl)O.C1=CC=C(C=C1)C2=[N+](C=CN2CCCNCC(CCl)O)CC(CCl)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C18H26Cl2N3O2.H2O4S/c2*19-11-16(24)13-21-7-4-8-22-9-10-23(14-17(25)12-20)18(22)15-5-2-1-3-6-15;1-5(2,3)4/h2*1-3,5-6,9-10,16-17,21,24-25H,4,7-8,11-14H2;(H2,1,2,3,4)/q2*+1;/p-2