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

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-ethoxyphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-ethoxybenzyl)-4-(3-phenoxybenzyl)piperazin-4-ium Formula: C26H31N2O2+ MolecularWeight: 403.53654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O2/c1-2-29-24-13-11-22(12-14-24)20-27-15-17-28(18-16-27)21-23-7-6-10-26(19-23)30-25-8-4-3-5-9-25/h3-14,19H,2,15-18,20-21H2,1H3/p+1