(3S)-1-[(2-fluorophenyl)methyl]-3-(1,4-oxazepan-4-ium-4-ylmethyl)-3-oxidanyl-piperidin-2-one

Systemtic Name: (3S)-1-[(2-fluorophenyl)methyl]-3-(1,4-oxazepan-4-ium-4-ylmethyl)-3-oxidanyl-piperidin-2-one Openeye Name: (3S)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)piperidin-2-one CAS Name: (3S)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)-2-piperidinone IUPAC Name: (3S)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)piperidin-2-one Traditional Name: (3S)-1-(2-fluorobenzyl)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)-2-piperidone Formula: C18H26FN2O3+ MolecularWeight: 337.409043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)CC2=CC=CC=C2F)(C[NH+]3CCCOCC3)O

Isomeric SMILES

C1C[C@@](C(=O)N(C1)CC2=CC=CC=C2F)(C[NH+]3CCCOCC3)O

InChI

InChI=1S/C18H25FN2O3/c19-16-6-2-1-5-15(16)13-21-9-3-7-18(23,17(21)22)14-20-8-4-11-24-12-10-20/h1-2,5-6,23H,3-4,7-14H2/p+1/t18-/m0/s1