(5S)-5-[4-(5-chloranylpyridin-1-ium-2-yl)piperazin-1-yl]carbonyl-1-(2-pyridin-2-ylethyl)piperidin-2-one

Systemtic Name: (5S)-5-[4-(5-chloranylpyridin-1-ium-2-yl)piperazin-1-yl]carbonyl-1-(2-pyridin-2-ylethyl)piperidin-2-one Openeye Name: (5S)-5-[4-(5-chloropyridin-1-ium-2-yl)piperazine-1-carbonyl]-1-[2-(2-pyridyl)ethyl]piperidin-2-one CAS Name: (5S)-5-[[4-(5-chloro-2-pyridin-1-iumyl)-1-piperazinyl]-oxomethyl]-1-[2-(2-pyridinyl)ethyl]-2-piperidinone IUPAC Name: (5S)-5-[4-(5-chloropyridin-1-ium-2-yl)piperazine-1-carbonyl]-1-(2-pyridin-2-ylethyl)piperidin-2-one Traditional Name: (5S)-5-[4-(5-chloropyridin-1-ium-2-yl)piperazine-1-carbonyl]-1-[2-(2-pyridyl)ethyl]-2-piperidone Formula: C22H27ClN5O2+ MolecularWeight: 428.93508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)Cl)CCC4=CC=CC=N4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)Cl)CCC4=CC=CC=N4

InChI

InChI=1S/C22H26ClN5O2/c23-18-5-6-20(25-15-18)26-11-13-27(14-12-26)22(30)17-4-7-21(29)28(16-17)10-8-19-3-1-2-9-24-19/h1-3,5-6,9,15,17H,4,7-8,10-14,16H2/p+1/t17-/m0/s1