[(3S)-1-(cyclopropylmethyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-[(3-fluoranyl-4-methyl-phenyl)methyl]azanium

Systemtic Name: [(3S)-1-(cyclopropylmethyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-[(3-fluoranyl-4-methyl-phenyl)methyl]azanium Openeye Name: [(3S)-1-(cyclopropylmethyl)-3-hydroxy-2-oxo-3-piperidyl]methyl-[(3-fluoro-4-methyl-phenyl)methyl]ammonium CAS Name: [(3S)-1-(cyclopropylmethyl)-3-hydroxy-2-oxo-3-piperidinyl]methyl-[(3-fluoro-4-methylphenyl)methyl]ammonium IUPAC Name: [(3S)-1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-[(3-fluoro-4-methylphenyl)methyl]azanium Traditional Name: [(3S)-1-(cyclopropylmethyl)-3-hydroxy-2-keto-3-piperidyl]methyl-(3-fluoro-4-methyl-benzyl)ammonium Formula: C18H26FN2O2+ MolecularWeight: 321.409643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH2+]CC2(CCCN(C2=O)CC3CC3)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH2+]C[C@]2(CCCN(C2=O)CC3CC3)O)F

InChI

InChI=1S/C18H25FN2O2/c1-13-3-4-15(9-16(13)19)10-20-12-18(23)7-2-8-21(17(18)22)11-14-5-6-14/h3-4,9,14,20,23H,2,5-8,10-12H2,1H3/p+1/t18-/m0/s1