4-[(2R)-2-oxidanyl-3-[4-(3-oxidanylidenebutyl)phenoxy]propyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(2R)-2-oxidanyl-3-[4-(3-oxidanylidenebutyl)phenoxy]propyl]piperazin-4-ium-2-one Openeye Name: 4-[(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]piperazin-4-ium-2-one CAS Name: 4-[(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-2-piperazin-4-iumone IUPAC Name: 4-[(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]piperazin-4-ium-2-one Traditional Name: 4-[(2R)-2-hydroxy-3-[4-(3-ketobutyl)phenoxy]propyl]piperazin-4-ium-2-one Formula: C17H25N2O4+ MolecularWeight: 321.3914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC(C[NH+]2CCNC(=O)C2)O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OC[C@@H](C[NH+]2CCNC(=O)C2)O

InChI

InChI=1S/C17H24N2O4/c1-13(20)2-3-14-4-6-16(7-5-14)23-12-15(21)10-19-9-8-18-17(22)11-19/h4-7,15,21H,2-3,8-12H2,1H3,(H,18,22)/p+1/t15-/m1/s1