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

Systemtic Name: (2R)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-phenoxy-propan-1-one Openeye Name: (2R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-phenoxy-propan-1-one CAS Name: (2R)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-phenoxy-1-propanone IUPAC Name: (2R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-phenoxypropan-1-one Traditional Name: (2R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-phenoxy-propan-1-one Formula: C26H29N2O2+ MolecularWeight: 401.52066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O2/c1-21(30-24-15-9-4-10-16-24)26(29)28-19-17-27(18-20-28)25(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-16,21,25H,17-20H2,1H3/p+1/t21-/m1/s1