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

Systemtic Name: (3S)-1-(2-cyclohexylethyl)-3-(1,4-oxazepan-4-ium-4-ylmethyl)-3-oxidanyl-piperidin-2-one Openeye Name: (3S)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)piperidin-2-one CAS Name: (3S)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)-2-piperidinone IUPAC Name: (3S)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)piperidin-2-one Traditional Name: (3S)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)-2-piperidone Formula: C19H35N2O3+ MolecularWeight: 339.4928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCN2CCCC(C2=O)(C[NH+]3CCCOCC3)O

Isomeric SMILES

C1CCC(CC1)CCN2CCC[C@@](C2=O)(C[NH+]3CCCOCC3)O

InChI

InChI=1S/C19H34N2O3/c22-18-19(23,16-20-10-5-14-24-15-13-20)9-4-11-21(18)12-8-17-6-2-1-3-7-17/h17,23H,1-16H2/p+1/t19-/m0/s1