(5S)-1-(3-morpholin-4-ium-4-ylpropyl)-5-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]carbonyl-piperidin-2-one

Systemtic Name: (5S)-1-(3-morpholin-4-ium-4-ylpropyl)-5-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]carbonyl-piperidin-2-one Openeye Name: (5S)-1-(3-morpholin-4-ium-4-ylpropyl)-5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one CAS Name: (5S)-1-[3-(4-morpholin-4-iumyl)propyl]-5-[oxo-[4-(1-pyrazolylmethyl)-1-piperidinyl]methyl]-2-piperidinone IUPAC Name: (5S)-1-(3-morpholin-4-ium-4-ylpropyl)-5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one Traditional Name: (5S)-1-(3-morpholin-4-ium-4-ylpropyl)-5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-2-piperidone Formula: C22H36N5O3+ MolecularWeight: 418.55294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)N2CCC(CC2)CN3C=CC=N3)CCC[NH+]4CCOCC4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)N2CCC(CC2)CN3C=CC=N3)CCC[NH+]4CCOCC4

InChI

InChI=1S/C22H35N5O3/c28-21-4-3-20(18-26(21)9-2-8-24-13-15-30-16-14-24)22(29)25-11-5-19(6-12-25)17-27-10-1-7-23-27/h1,7,10,19-20H,2-6,8-9,11-18H2/p+1/t20-/m0/s1