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

Systemtic Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]propan-1-one Openeye Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[(4-fluoro-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]propan-1-one CAS Name: 1-(4-ethyl-1-piperazin-4-iumyl)-3-[1-[(4-fluoro-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-(4-fluoro-3-methoxy-benzyl)piperidin-1-ium-4-yl]propan-1-one Formula: C22H36FN3O2+2 MolecularWeight: 393.538543

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CC3=CC(=C(C=C3)F)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CC3=CC(=C(C=C3)F)OC

InChI

InChI=1S/C22H34FN3O2/c1-3-24-12-14-26(15-13-24)22(27)7-5-18-8-10-25(11-9-18)17-19-4-6-20(23)21(16-19)28-2/h4,6,16,18H,3,5,7-15,17H2,1-2H3/p+2