1-[4-[(2R)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[4-[(2R)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2R)-3-(4-benzhydrylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[4-[(2R)-3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[4-[(2R)-3-(4-benzhydrylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[4-[(2R)-3-(4-benzhydrylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]ethanone Formula: C28H33N2O3+ MolecularWeight: 445.57322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(CN2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC[C@@H](CN2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C28H32N2O3/c1-22(31)23-12-14-27(15-13-23)33-21-26(32)20-29-16-18-30(19-17-29)28(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,26,28,32H,16-21H2,1H3/p+1/t26-/m1/s1