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

Systemtic Name: 4-[[4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]-1-phenyl-piperazin-4-ium-2-one Openeye Name: 4-[[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]-1-phenyl-piperazin-4-ium-2-one CAS Name: 4-[[4-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl]-1-phenyl-2-piperazin-4-iumone IUPAC Name: 4-[[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl]-1-phenylpiperazin-4-ium-2-one Traditional Name: 4-[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-1-phenyl-piperazin-4-ium-2-one Formula: C25H35N3O3+2 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C[NH+]3CCN(C(=O)C3)C4=CC=CC=C4)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C[NH+]3CCN(C(=O)C3)C4=CC=CC=C4)O

InChI

InChI=1S/C25H33N3O3/c29-23(18-26-13-5-2-6-14-26)20-31-24-11-9-21(10-12-24)17-27-15-16-28(25(30)19-27)22-7-3-1-4-8-22/h1,3-4,7-12,23,29H,2,5-6,13-20H2/p+2/t23-/m0/s1