3-[1-[(2-fluoranyl-5-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-[(2-fluoranyl-5-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-[(2-fluoro-5-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-[(2-fluoro-5-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-(2-fluoro-5-methoxy-benzyl)piperidin-1-ium-4-yl]-1-(4-phenylpiperazino)propan-1-one Formula: C26H35FN3O2+ MolecularWeight: 440.573403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)C[NH+]2CCC(CC2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)F)C[NH+]2CCC(CC2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H34FN3O2/c1-32-24-8-9-25(27)22(19-24)20-28-13-11-21(12-14-28)7-10-26(31)30-17-15-29(16-18-30)23-5-3-2-4-6-23/h2-6,8-9,19,21H,7,10-18,20H2,1H3/p+1