[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(pyridin-2-ylmethylamino)pyridin-1-ium-3-yl]methanone

Systemtic Name: [(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(pyridin-2-ylmethylamino)pyridin-1-ium-3-yl]methanone Openeye Name: [(2S)-2-(2-pyrazol-1-ylethyl)-1-piperidyl]-[6-(2-pyridylmethylamino)pyridin-1-ium-3-yl]methanone CAS Name: [(2S)-2-[2-(1-pyrazolyl)ethyl]-1-piperidinyl]-[6-(2-pyridinylmethylamino)-3-pyridin-1-iumyl]methanone IUPAC Name: [(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(pyridin-2-ylmethylamino)pyridin-1-ium-3-yl]methanone Traditional Name: [(2S)-2-(2-pyrazol-1-ylethyl)piperidino]-[6-(2-pyridylmethylamino)pyridin-1-ium-3-yl]methanone Formula: C22H27N6O+ MolecularWeight: 391.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCN2C=CC=N2)C(=O)C3=C[NH+]=C(C=C3)NCC4=CC=CC=N4

Isomeric SMILES

C1CCN([C@@H](C1)CCN2C=CC=N2)C(=O)C3=C[NH+]=C(C=C3)NCC4=CC=CC=N4

InChI

InChI=1S/C22H26N6O/c29-22(28-14-4-2-7-20(28)10-15-27-13-5-12-26-27)18-8-9-21(24-16-18)25-17-19-6-1-3-11-23-19/h1,3,5-6,8-9,11-13,16,20H,2,4,7,10,14-15,17H2,(H,24,25)/p+1/t20-/m0/s1