(2R)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(4-ethylphenoxy)propan-1-one

Systemtic Name: (2R)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(4-ethylphenoxy)propan-1-one Openeye Name: (2R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-ethylphenoxy)propan-1-one CAS Name: (2R)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(4-ethylphenoxy)-1-propanone IUPAC Name: (2R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-ethylphenoxy)propan-1-one Traditional Name: (2R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-ethylphenoxy)propan-1-one Formula: C28H33N2O2+ MolecularWeight: 429.57382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(C)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)O[C@H](C)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H32N2O2/c1-3-23-14-16-26(17-15-23)32-22(2)28(31)30-20-18-29(19-21-30)27(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,22,27H,3,18-21H2,1-2H3/p+1/t22-/m1/s1