1-adamantyl-[(2R)-3-(2-chloranyl-4-morpholin-4-ylsulfonyl-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: 1-adamantyl-[(2R)-3-(2-chloranyl-4-morpholin-4-ylsulfonyl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: 1-adamantyl-[(2R)-3-(2-chloro-4-morpholinosulfonyl-phenoxy)-2-hydroxy-propyl]ammonium CAS Name: 1-adamantyl-[(2R)-3-[2-chloro-4-(4-morpholinylsulfonyl)phenoxy]-2-hydroxypropyl]ammonium IUPAC Name: 1-adamantyl-[(2R)-3-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-2-hydroxypropyl]azanium Traditional Name: 1-adamantyl-[(2R)-3-(2-chloro-4-morpholinosulfonyl-phenoxy)-2-hydroxy-propyl]ammonium Formula: C23H34ClN2O5S+ MolecularWeight: 486.04446

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC(C[NH2+]C34CC5CC(C3)CC(C5)C4)O)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OC[C@@H](C[NH2+]C34CC5CC(C3)CC(C5)C4)O)Cl

InChI

InChI=1S/C23H33ClN2O5S/c24-21-10-20(32(28,29)26-3-5-30-6-4-26)1-2-22(21)31-15-19(27)14-25-23-11-16-7-17(12-23)9-18(8-16)13-23/h1-2,10,16-19,25,27H,3-9,11-15H2/p+1/t16?,17?,18?,19-,23?/m1/s1