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

Systemtic Name: (5S)-5-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-1-(2-pyridin-2-ylethyl)piperidin-2-one Openeye Name: (5S)-5-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)-1-[2-(2-pyridyl)ethyl]piperidin-2-one CAS Name: (5S)-5-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-[2-(2-pyridinyl)ethyl]-2-piperidinone IUPAC Name: (5S)-5-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one Traditional Name: (5S)-5-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)-1-[2-(2-pyridyl)ethyl]-2-piperidone Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O2/c28-21-5-4-18(17-27(21)12-8-19-3-1-2-9-24-19)22(29)26-15-13-25(14-16-26)20-6-10-23-11-7-20/h1-3,6-7,9-11,18H,4-5,8,12-17H2/p+1/t18-/m0/s1