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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-1-ium Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazin-4-ium CAS Name: 1-[(4-fluorophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(4-fluorophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-(4-fluorobenzyl)piperazin-4-ium Formula: C26H30FN2O2+ MolecularWeight: 421.527003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)F)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)F)OCC4=CC=CC=C4

InChI

InChI=1S/C26H29FN2O2/c1-30-25-12-9-23(17-26(25)31-20-22-5-3-2-4-6-22)19-29-15-13-28(14-16-29)18-21-7-10-24(27)11-8-21/h2-12,17H,13-16,18-20H2,1H3/p+1