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

Systemtic Name: 1-chloranyl-3-[3-[3-(3-chloranyl-2-oxidanyl-propyl)-2-heptadecyl-imidazol-3-ium-1-yl]propylamino]propan-2-ol sulfate Openeye Name: 1-chloro-3-[3-[3-(3-chloro-2-hydroxy-propyl)-2-heptadecyl-imidazol-3-ium-1-yl]propylamino]propan-2-ol sulfate CAS Name: 1-chloro-3-[3-[3-(3-chloro-2-hydroxypropyl)-2-heptadecyl-1-imidazol-3-iumyl]propylamino]-2-propanol sulfate IUPAC Name: 1-chloro-3-[3-[3-(3-chloro-2-hydroxypropyl)-2-heptadecylimidazol-3-ium-1-yl]propylamino]propan-2-ol sulfate Traditional Name: 1-chloro-3-[3-[3-(3-chloro-2-hydroxy-propyl)-2-heptadecyl-imidazol-3-ium-1-yl]propylamino]propan-2-ol sulfate Formula: C58H112Cl4N6O8S MolecularWeight: 1195.42228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=[N+](C=CN1CCCNCC(CCl)O)CC(CCl)O.CCCCCCCCCCCCCCCCCC1=[N+](C=CN1CCCNCC(CCl)O)CC(CCl)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=[N+](C=CN1CCCNCC(CCl)O)CC(CCl)O.CCCCCCCCCCCCCCCCCC1=[N+](C=CN1CCCNCC(CCl)O)CC(CCl)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C29H56Cl2N3O2.H2O4S/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-29-33(20-17-19-32-25-27(35)23-30)21-22-34(29)26-28(36)24-31;1-5(2,3)4/h2*21-22,27-28,32,35-36H,2-20,23-26H2,1H3;(H2,1,2,3,4)/q2*+1;/p-2