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

Systemtic Name: 3-[(3R)-1-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-[(4-fluoro-3-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(4-fluoro-3-methoxy-benzyl)piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C21H34FN3O2+2 MolecularWeight: 379.511963

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2CCC[NH+](C2)CC3=CC(=C(C=C3)F)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=CC(=C(C=C3)F)OC

InChI

InChI=1S/C21H32FN3O2/c1-23-10-12-25(13-11-23)21(26)8-6-17-4-3-9-24(15-17)16-18-5-7-19(22)20(14-18)27-2/h5,7,14,17H,3-4,6,8-13,15-16H2,1-2H3/p+2/t17-/m1/s1