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

Systemtic Name: 1-(2-fluorophenyl)-4-[1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium Openeye Name: 1-[1-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-4-(2-fluorophenyl)piperazin-1-ium CAS Name: 1-(2-fluorophenyl)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]piperazin-4-ium IUPAC Name: 1-(2-fluorophenyl)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium Traditional Name: 1-[1-(3-benzoxy-4-methoxy-benzyl)piperidin-1-ium-4-yl]-4-(2-fluorophenyl)piperazin-1-ium Formula: C30H38FN3O2+2 MolecularWeight: 491.640023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4F)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4F)OCC5=CC=CC=C5

InChI

InChI=1S/C30H36FN3O2/c1-35-29-12-11-25(21-30(29)36-23-24-7-3-2-4-8-24)22-32-15-13-26(14-16-32)33-17-19-34(20-18-33)28-10-6-5-9-27(28)31/h2-12,21,26H,13-20,22-23H2,1H3/p+2