1-[(3-phenoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(3-phenoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(3-phenoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(3-phenoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(3-phenoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(3-phenoxybenzyl)-4-(2,4,5-trimethoxybenzyl)piperazin-1-ium Formula: C27H33N2O4+ MolecularWeight: 449.56192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CN2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CN2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H32N2O4/c1-30-25-18-27(32-3)26(31-2)17-22(25)20-29-14-12-28(13-15-29)19-21-8-7-11-24(16-21)33-23-9-5-4-6-10-23/h4-11,16-18H,12-15,19-20H2,1-3H3/p+1