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

Systemtic Name: 1-cyclopentyl-4-[[2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]piperazin-4-ium-2-one Openeye Name: 1-cyclopentyl-4-[[2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]piperazin-4-ium-2-one CAS Name: 1-cyclopentyl-4-[[2-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl]-2-piperazin-4-iumone IUPAC Name: 1-cyclopentyl-4-[[2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl]piperazin-4-ium-2-one Traditional Name: 1-cyclopentyl-4-[2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]piperazin-4-ium-2-one Formula: C24H39N3O3+2 MolecularWeight: 417.58476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=CC=C2C[NH+]3CCN(C(=O)C3)C4CCCC4)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=CC=C2C[NH+]3CCN(C(=O)C3)C4CCCC4)O

InChI

InChI=1S/C24H37N3O3/c28-22(17-25-12-6-1-7-13-25)19-30-23-11-5-2-8-20(23)16-26-14-15-27(24(29)18-26)21-9-3-4-10-21/h2,5,8,11,21-22,28H,1,3-4,6-7,9-10,12-19H2/p+2/t22-/m0/s1