[1-[1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-6-oxidanylidene-pyridazin-4-yl]piperidin-4-yl]methylazanium

Systemtic Name: [1-[1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-6-oxidanylidene-pyridazin-4-yl]piperidin-4-yl]methylazanium Openeye Name: [1-[1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-6-oxo-pyridazin-4-yl]-4-piperidyl]methylammonium CAS Name: [1-[1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-6-oxo-4-pyridazinyl]-4-piperidinyl]methylammonium IUPAC Name: [1-[1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-6-oxopyridazin-4-yl]piperidin-4-yl]methylazanium Traditional Name: [1-[1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-6-keto-pyridazin-4-yl]-4-piperidyl]methylammonium Formula: C16H26N6O+2 MolecularWeight: 318.41724

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)CN2C(=O)C=C(C=N2)N3CCC(CC3)C[NH3+]

Isomeric SMILES

CC[N+]1=C(NC=C1)CN2C(=O)C=C(C=N2)N3CCC(CC3)C[NH3+]

InChI

InChI=1S/C16H24N6O/c1-2-20-8-5-18-15(20)12-22-16(23)9-14(11-19-22)21-6-3-13(10-17)4-7-21/h5,8-9,11,13H,2-4,6-7,10,12,17H2,1H3/p+2