1-[4-[4-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Formula: C19H31N3O5S+2 MolecularWeight: 413.53154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(C[NH+]3CCOCC3)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@H](C[NH+]3CCOCC3)O

InChI

InChI=1S/C19H29N3O5S/c1-16(23)17-2-4-19(5-3-17)28(25,26)22-8-6-20(7-9-22)14-18(24)15-21-10-12-27-13-11-21/h2-5,18,24H,6-15H2,1H3/p+2/t18-/m1/s1