(5S)-1-(2-pyridin-2-ylethyl)-5-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)carbonyl-piperidin-2-one

Systemtic Name: (5S)-1-(2-pyridin-2-ylethyl)-5-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)carbonyl-piperidin-2-one Openeye Name: (5S)-1-[2-(2-pyridyl)ethyl]-5-(4-thiomorpholin-4-ium-4-ylpiperidine-1-carbonyl)piperidin-2-one CAS Name: (5S)-5-[oxo-[4-(4-thiomorpholin-4-iumyl)-1-piperidinyl]methyl]-1-[2-(2-pyridinyl)ethyl]-2-piperidinone IUPAC Name: (5S)-1-(2-pyridin-2-ylethyl)-5-(4-thiomorpholin-4-ium-4-ylpiperidine-1-carbonyl)piperidin-2-one Traditional Name: (5S)-1-[2-(2-pyridyl)ethyl]-5-(4-thiomorpholin-4-ium-4-ylpiperidine-1-carbonyl)-2-piperidone Formula: C22H33N4O2S+ MolecularWeight: 417.58802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)N2CCC(CC2)[NH+]3CCSCC3)CCC4=CC=CC=N4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)N2CCC(CC2)[NH+]3CCSCC3)CCC4=CC=CC=N4

InChI

InChI=1S/C22H32N4O2S/c27-21-5-4-18(17-26(21)10-6-19-3-1-2-9-23-19)22(28)25-11-7-20(8-12-25)24-13-15-29-16-14-24/h1-3,9,18,20H,4-8,10-17H2/p+1/t18-/m0/s1