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

Systemtic Name: (3S)-1-(cyclohexylmethyl)-3-(1,4-oxazepan-4-ium-4-ylmethyl)-3-oxidanyl-piperidin-2-one Openeye Name: (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)piperidin-2-one CAS Name: (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)-2-piperidinone IUPAC Name: (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)piperidin-2-one Traditional Name: (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)-2-piperidone Formula: C18H33N2O3+ MolecularWeight: 325.46622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CCCC(C2=O)(C[NH+]3CCCOCC3)O

Isomeric SMILES

C1CCC(CC1)CN2CCC[C@@](C2=O)(C[NH+]3CCCOCC3)O

InChI

InChI=1S/C18H32N2O3/c21-17-18(22,15-19-9-5-12-23-13-11-19)8-4-10-20(17)14-16-6-2-1-3-7-16/h16,22H,1-15H2/p+1/t18-/m0/s1