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

Systemtic Name: 1-chloranyl-3-[3-[3-(3-chloranyl-2-oxidanyl-propyl)-2-methyl-imidazol-3-ium-1-yl]propylamino]propan-2-ol sulfate Openeye Name: 1-chloro-3-[3-[3-(3-chloro-2-hydroxy-propyl)-2-methyl-imidazol-3-ium-1-yl]propylamino]propan-2-ol sulfate CAS Name: 1-chloro-3-[3-[3-(3-chloro-2-hydroxypropyl)-2-methyl-1-imidazol-3-iumyl]propylamino]-2-propanol sulfate IUPAC Name: 1-chloro-3-[3-[3-(3-chloro-2-hydroxypropyl)-2-methylimidazol-3-ium-1-yl]propylamino]propan-2-ol sulfate Traditional Name: 1-chloro-3-[3-[3-(3-chloro-2-hydroxy-propyl)-2-methyl-imidazol-3-ium-1-yl]propylamino]propan-2-ol sulfate Formula: C26H48Cl4N6O8S MolecularWeight: 746.57172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1CCCNCC(CCl)O)CC(CCl)O.CC1=[N+](C=CN1CCCNCC(CCl)O)CC(CCl)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C=CN1CCCNCC(CCl)O)CC(CCl)O.CC1=[N+](C=CN1CCCNCC(CCl)O)CC(CCl)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C13H24Cl2N3O2.H2O4S/c2*1-11-17(4-2-3-16-9-12(19)7-14)5-6-18(11)10-13(20)8-15;1-5(2,3)4/h2*5-6,12-13,16,19-20H,2-4,7-10H2,1H3;(H2,1,2,3,4)/q2*+1;/p-2