(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1,2-diphenyl-ethanone

Systemtic Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1,2-diphenyl-ethanone Openeye Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1,2-diphenyl-ethanone CAS Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1,2-diphenylethanone IUPAC Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1,2-diphenylethanone Traditional Name: (2R)-1,2-diphenyl-2-(4-piperonylpiperazin-1-ium-1-yl)ethanone Formula: C26H27N2O3+ MolecularWeight: 415.50418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C(=O)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H26N2O3/c29-26(22-9-5-2-6-10-22)25(21-7-3-1-4-8-21)28-15-13-27(14-16-28)18-20-11-12-23-24(17-20)31-19-30-23/h1-12,17,25H,13-16,18-19H2/p+1/t25-/m1/s1