1-cyclopentyl-4-[[3-[(2S)-3-morpholin-4-yl-2-oxidanyl-propoxy]phenyl]methyl]piperazin-4-ium-2-one

Systemtic Name: 1-cyclopentyl-4-[[3-[(2S)-3-morpholin-4-yl-2-oxidanyl-propoxy]phenyl]methyl]piperazin-4-ium-2-one Openeye Name: 1-cyclopentyl-4-[[3-[(2S)-2-hydroxy-3-morpholino-propoxy]phenyl]methyl]piperazin-4-ium-2-one CAS Name: 1-cyclopentyl-4-[[3-[(2S)-2-hydroxy-3-(4-morpholinyl)propoxy]phenyl]methyl]-2-piperazin-4-iumone IUPAC Name: 1-cyclopentyl-4-[[3-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]methyl]piperazin-4-ium-2-one Traditional Name: 1-cyclopentyl-4-[3-[(2S)-2-hydroxy-3-morpholino-propoxy]benzyl]piperazin-4-ium-2-one Formula: C23H36N3O4+ MolecularWeight: 418.54964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CC[NH+](CC2=O)CC3=CC(=CC=C3)OCC(CN4CCOCC4)O

Isomeric SMILES

C1CCC(C1)N2CC[NH+](CC2=O)CC3=CC(=CC=C3)OC[C@H](CN4CCOCC4)O

InChI

InChI=1S/C23H35N3O4/c27-21(16-24-10-12-29-13-11-24)18-30-22-7-3-4-19(14-22)15-25-8-9-26(23(28)17-25)20-5-1-2-6-20/h3-4,7,14,20-21,27H,1-2,5-6,8-13,15-18H2/p+1/t21-/m0/s1