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

Systemtic Name: 1-chloranyl-3-[3-[3-(3-chloranyl-2-oxidanyl-propyl)imidazol-3-ium-1-yl]propylamino]propan-2-ol sulfate Openeye Name: 1-chloro-3-[3-[3-(3-chloro-2-hydroxy-propyl)imidazol-3-ium-1-yl]propylamino]propan-2-ol sulfate CAS Name: 1-chloro-3-[3-[3-(3-chloro-2-hydroxypropyl)-1-imidazol-3-iumyl]propylamino]-2-propanol sulfate IUPAC Name: 1-chloro-3-[3-[3-(3-chloro-2-hydroxypropyl)imidazol-3-ium-1-yl]propylamino]propan-2-ol sulfate Traditional Name: 1-chloro-3-[3-[3-(3-chloro-2-hydroxy-propyl)imidazol-3-ium-1-yl]propylamino]propan-2-ol sulfate Formula: C24H44Cl4N6O8S MolecularWeight: 718.51856

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CN1CCCNCC(CCl)O)CC(CCl)O.C1=C[N+](=CN1CCCNCC(CCl)O)CC(CCl)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=C[N+](=CN1CCCNCC(CCl)O)CC(CCl)O.C1=C[N+](=CN1CCCNCC(CCl)O)CC(CCl)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C12H22Cl2N3O2.H2O4S/c2*13-6-11(18)8-15-2-1-3-16-4-5-17(10-16)9-12(19)7-14;1-5(2,3)4/h2*4-5,10-12,15,18-19H,1-3,6-9H2;(H2,1,2,3,4)/q2*+1;/p-2