4-[[(3S)-1-[(2-fluoranyl-5-methoxy-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one

Systemtic Name: 4-[[(3S)-1-[(2-fluoranyl-5-methoxy-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one Openeye Name: 4-[[(3S)-1-[(2-fluoro-5-methoxy-phenyl)methyl]-3-hydroxy-2-oxo-3-piperidyl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one CAS Name: 4-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxo-3-piperidinyl]methyl]-3,3-dimethyl-2-piperazin-4-iumone IUPAC Name: 4-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-4-ium-2-one Traditional Name: 4-[[(3S)-1-(2-fluoro-5-methoxy-benzyl)-3-hydroxy-2-keto-3-piperidyl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one Formula: C20H29FN3O4+ MolecularWeight: 394.460363

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NCC[NH+]1CC2(CCCN(C2=O)CC3=C(C=CC(=C3)OC)F)O)C

Isomeric SMILES

CC1(C(=O)NCC[NH+]1C[C@]2(CCCN(C2=O)CC3=C(C=CC(=C3)OC)F)O)C

InChI

InChI=1S/C20H28FN3O4/c1-19(2)17(25)22-8-10-24(19)13-20(27)7-4-9-23(18(20)26)12-14-11-15(28-3)5-6-16(14)21/h5-6,11,27H,4,7-10,12-13H2,1-3H3,(H,22,25)/p+1/t20-/m0/s1