(2R)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(3-methylphenoxy)propan-1-one

Systemtic Name: (2R)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(3-methylphenoxy)propan-1-one Openeye Name: (2R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(3-methylphenoxy)propan-1-one CAS Name: (2R)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(3-methylphenoxy)-1-propanone IUPAC Name: (2R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(3-methylphenoxy)propan-1-one Traditional Name: (2R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(3-methylphenoxy)propan-1-one Formula: C27H31N2O2+ MolecularWeight: 415.54724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)O[C@H](C)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2/c1-21-10-9-15-25(20-21)31-22(2)27(30)29-18-16-28(17-19-29)26(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-15,20,22,26H,16-19H2,1-2H3/p+1/t22-/m1/s1