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

Systemtic Name: 1-(2-ethoxyphenyl)-4-[(4-hexoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2-ethoxyphenyl)-4-[(4-hexoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(2-ethoxyphenyl)-4-[(4-hexoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-ethoxyphenyl)-4-[(4-hexoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-hexoxybenzyl)-4-o-phenetyl-piperazin-1-ium Formula: C25H37N2O2+ MolecularWeight: 397.57348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3OCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3OCC

InChI

InChI=1S/C25H36N2O2/c1-3-5-6-9-20-29-23-14-12-22(13-15-23)21-26-16-18-27(19-17-26)24-10-7-8-11-25(24)28-4-2/h7-8,10-15H,3-6,9,16-21H2,1-2H3/p+1