1-(2-ethoxyphenyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-ethoxyphenyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2-ethoxyphenyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(2-ethoxyphenyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-ethoxyphenyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-o-phenetyl-4-(3-phenoxybenzyl)piperazin-4-ium Formula: C25H29N2O2+ MolecularWeight: 389.50996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O2/c1-2-28-25-14-7-6-13-24(25)27-17-15-26(16-18-27)20-21-9-8-12-23(19-21)29-22-10-4-3-5-11-22/h3-14,19H,2,15-18,20H2,1H3/p+1