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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-phenylbenzyl)-4-piperonyl-piperazin-1-ium Formula: C25H27N2O2+ MolecularWeight: 387.49408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O2/c1-2-4-22(5-3-1)23-9-6-20(7-10-23)17-26-12-14-27(15-13-26)18-21-8-11-24-25(16-21)29-19-28-24/h1-11,16H,12-15,17-19H2/p+1