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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-phenoxybenzyl)-4-piperonyl-piperazin-1-ium Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3/c1-2-6-22(7-3-1)30-23-8-4-5-20(15-23)17-26-11-13-27(14-12-26)18-21-9-10-24-25(16-21)29-19-28-24/h1-10,15-16H,11-14,17-19H2/p+1