4-[[3-[(2R)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[3-[(2R)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[3-[(2R)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[3-[(2R)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]phenyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[3-[(2R)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[3-[(2R)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzyl]piperazin-4-ium-2-one Formula: C20H34N4O3+2 MolecularWeight: 378.50896

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=CC=CC(=C2)C[NH+]3CCNC(=O)C3)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@H](COC2=CC=CC(=C2)C[NH+]3CCNC(=O)C3)O

InChI

InChI=1S/C20H32N4O3/c1-2-22-8-10-23(11-9-22)14-18(25)16-27-19-5-3-4-17(12-19)13-24-7-6-21-20(26)15-24/h3-5,12,18,25H,2,6-11,13-16H2,1H3,(H,21,26)/p+2/t18-/m1/s1