cyclohexyl-[[(3S)-1-[(2-fluoranyl-5-methoxy-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]-methyl-azanium

Systemtic Name: cyclohexyl-[[(3S)-1-[(2-fluoranyl-5-methoxy-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]-methyl-azanium Openeye Name: cyclohexyl-[[(3S)-1-[(2-fluoro-5-methoxy-phenyl)methyl]-3-hydroxy-2-oxo-3-piperidyl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxo-3-piperidinyl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]-methylazanium Traditional Name: cyclohexyl-[[(3S)-1-(2-fluoro-5-methoxy-benzyl)-3-hydroxy-2-keto-3-piperidyl]methyl]-methyl-ammonium Formula: C21H32FN2O3+ MolecularWeight: 379.488783

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1(CCCN(C1=O)CC2=C(C=CC(=C2)OC)F)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@]1(CCCN(C1=O)CC2=C(C=CC(=C2)OC)F)O)C3CCCCC3

InChI

InChI=1S/C21H31FN2O3/c1-23(17-7-4-3-5-8-17)15-21(26)11-6-12-24(20(21)25)14-16-13-18(27-2)9-10-19(16)22/h9-10,13,17,26H,3-8,11-12,14-15H2,1-2H3/p+1/t21-/m0/s1