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

Systemtic Name: 1-(2-fluorophenyl)-4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium CAS Name: 1-(2-fluorophenyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-fluorophenyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-(2-fluorophenyl)piperazin-1-ium Formula: C25H28FN2O2+ MolecularWeight: 407.500423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3F)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3F)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27FN2O2/c1-29-24-12-11-21(17-25(24)30-19-20-7-3-2-4-8-20)18-27-13-15-28(16-14-27)23-10-6-5-9-22(23)26/h2-12,17H,13-16,18-19H2,1H3/p+1