cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[2-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]phenoxy]propyl]azanium

Systemtic Name: cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[2-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(3-oxopiperazin-1-ium-1-yl)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(3-oxo-1-piperazin-1-iumyl)methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(3-oxopiperazin-1-ium-1-yl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(3-ketopiperazin-1-ium-1-yl)methyl]phenoxy]propyl]-methyl-ammonium Formula: C21H35N3O3+2 MolecularWeight: 377.5209

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC=C1C[NH+]2CCNC(=O)C2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC=C1C[NH+]2CCNC(=O)C2)O)C3CCCCC3

InChI

InChI=1S/C21H33N3O3/c1-23(18-8-3-2-4-9-18)14-19(25)16-27-20-10-6-5-7-17(20)13-24-12-11-22-21(26)15-24/h5-7,10,18-19,25H,2-4,8-9,11-16H2,1H3,(H,22,26)/p+2/t19-/m0/s1