(3S)-1-(cyclobutylmethyl)-3-(1,4-oxazepan-4-ium-4-ylmethyl)-3-oxidanyl-piperidin-2-one

Systemtic Name: (3S)-1-(cyclobutylmethyl)-3-(1,4-oxazepan-4-ium-4-ylmethyl)-3-oxidanyl-piperidin-2-one Openeye Name: (3S)-1-(cyclobutylmethyl)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)piperidin-2-one CAS Name: (3S)-1-(cyclobutylmethyl)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)-2-piperidinone IUPAC Name: (3S)-1-(cyclobutylmethyl)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)piperidin-2-one Traditional Name: (3S)-1-(cyclobutylmethyl)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)-2-piperidone Formula: C16H29N2O3+ MolecularWeight: 297.41306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CN2CCCC(C2=O)(C[NH+]3CCCOCC3)O

Isomeric SMILES

C1CC(C1)CN2CCC[C@@](C2=O)(C[NH+]3CCCOCC3)O

InChI

InChI=1S/C16H28N2O3/c19-15-16(20,13-17-7-3-10-21-11-9-17)6-2-8-18(15)12-14-4-1-5-14/h14,20H,1-13H2/p+1/t16-/m0/s1