[1-[6-oxidanylidene-1-(pyridin-4-ylmethyl)pyridazin-4-yl]piperidin-4-yl]methylazanium

Systemtic Name: [1-[6-oxidanylidene-1-(pyridin-4-ylmethyl)pyridazin-4-yl]piperidin-4-yl]methylazanium Openeye Name: [1-[6-oxo-1-(4-pyridylmethyl)pyridazin-4-yl]-4-piperidyl]methylammonium CAS Name: [1-[6-oxo-1-(pyridin-4-ylmethyl)-4-pyridazinyl]-4-piperidinyl]methylammonium IUPAC Name: [1-[6-oxo-1-(pyridin-4-ylmethyl)pyridazin-4-yl]piperidin-4-yl]methylazanium Traditional Name: [1-[6-keto-1-(4-pyridylmethyl)pyridazin-4-yl]-4-piperidyl]methylammonium Formula: C16H22N5O+ MolecularWeight: 300.37878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C[NH3+])C2=CC(=O)N(N=C2)CC3=CC=NC=C3

Isomeric SMILES

C1CN(CCC1C[NH3+])C2=CC(=O)N(N=C2)CC3=CC=NC=C3

InChI

InChI=1S/C16H21N5O/c17-10-13-3-7-20(8-4-13)15-9-16(22)21(19-11-15)12-14-1-5-18-6-2-14/h1-2,5-6,9,11,13H,3-4,7-8,10,12,17H2/p+1