1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-benzyloxy-2-methoxy-phenyl)methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-benzoxy-2-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=CC(=C1)OCC2=CC=CC=C2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C=CC(=C1)OCC2=CC=CC=C2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

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