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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-piperonyl-piperazin-1-ium Formula: C27H31N2O4+ MolecularWeight: 447.54604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H30N2O4/c1-30-24-9-7-22(15-26(24)31-19-21-5-3-2-4-6-21)17-28-11-13-29(14-12-28)18-23-8-10-25-27(16-23)33-20-32-25/h2-10,15-16H,11-14,17-20H2,1H3/p+1