1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium CAS Name: 1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)-4-o-phenetyl-piperazin-1-ium Formula: C27H33N2O3+ MolecularWeight: 433.56252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H32N2O3/c1-3-31-25-12-8-7-11-24(25)29-17-15-28(16-18-29)20-23-13-14-26(27(19-23)30-2)32-21-22-9-5-4-6-10-22/h4-14,19H,3,15-18,20-21H2,1-2H3/p+1