1-(1,3-benzodioxol-5-ylmethyl)-4-[[3-(4-chloranylphenoxy)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[3-(4-chloranylphenoxy)phenyl]methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-4-ium Traditional Name: 1-[3-(4-chlorophenoxy)benzyl]-4-piperonyl-piperazin-1-ium Formula: C25H26ClN2O3+ MolecularWeight: 437.93854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H25ClN2O3/c26-21-5-7-22(8-6-21)31-23-3-1-2-19(14-23)16-27-10-12-28(13-11-27)17-20-4-9-24-25(15-20)30-18-29-24/h1-9,14-15H,10-13,16-18H2/p+1