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

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(4-fluorophenyl)sulfonyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-fluorophenyl)sulfonyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium Formula: C25H28FN2O4S+ MolecularWeight: 471.564223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27FN2O4S/c1-31-25-17-21(7-12-24(25)32-19-20-5-3-2-4-6-20)18-27-13-15-28(16-14-27)33(29,30)23-10-8-22(26)9-11-23/h2-12,17H,13-16,18-19H2,1H3/p+1