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

Systemtic Name: 1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-(3,4,5-trimethoxybenzyl)piperazin-1-ium Formula: C29H37N2O5+ MolecularWeight: 493.61448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C29H36N2O5/c1-32-25-11-10-23(16-26(25)36-21-22-8-6-5-7-9-22)19-30-12-14-31(15-13-30)20-24-17-27(33-2)29(35-4)28(18-24)34-3/h5-11,16-18H,12-15,19-21H2,1-4H3/p+1