3-[2-[4-(1-methyl-6-oxidanylidene-pyridazin-4-yl)piperazin-1-ium-1-yl]ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-[4-(1-methyl-6-oxidanylidene-pyridazin-4-yl)piperazin-1-ium-1-yl]ethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-[4-(1-methyl-6-oxo-pyridazin-4-yl)piperazin-1-ium-1-yl]ethyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-[4-(1-methyl-6-oxo-4-pyridazinyl)-1-piperazin-1-iumyl]ethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-ium-1-yl]ethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-[4-(6-keto-1-methyl-pyridazin-4-yl)piperazin-1-ium-1-yl]ethyl]-1,3-benzoxazol-2-one Formula: C18H22N5O3+ MolecularWeight: 356.39898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C18H21N5O3/c1-20-17(24)12-14(13-19-20)22-9-6-21(7-10-22)8-11-23-15-4-2-3-5-16(15)26-18(23)25/h2-5,12-13H,6-11H2,1H3/p+1