5-[4-(aminomethyl)piperidin-1-yl]-2-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]pyridazin-3-one

Systemtic Name: 5-[4-(aminomethyl)piperidin-1-yl]-2-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]pyridazin-3-one Openeye Name: 5-[4-(aminomethyl)-1-piperidyl]-2-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]pyridazin-3-one CAS Name: 5-[4-(aminomethyl)-1-piperidinyl]-2-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-pyridazinone IUPAC Name: 5-[4-(aminomethyl)piperidin-1-yl]-2-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]pyridazin-3-one Traditional Name: 5-[4-(aminomethyl)piperidino]-2-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]pyridazin-3-one Formula: C16H25N6O+ MolecularWeight: 317.4093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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+1