2-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one

Systemtic Name: 2-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Openeye Name: 2-[[(5S)-3-ethyl-4,5-dihydroisoxazol-5-yl]methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one CAS Name: 2-[[(5S)-3-ethyl-4,5-dihydroisoxazol-5-yl]methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridazinone IUPAC Name: 2-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Traditional Name: 2-[[(5S)-3-ethyl-2-isoxazolin-5-yl]methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Formula: C16H26N5O2+ MolecularWeight: 320.40994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(C1)CN2C(=O)C=C(C=N2)N3CCC[NH+](CC3)C

Isomeric SMILES

CCC1=NO[C@@H](C1)CN2C(=O)C=C(C=N2)N3CCC[NH+](CC3)C

InChI

InChI=1S/C16H25N5O2/c1-3-13-9-15(23-18-13)12-21-16(22)10-14(11-17-21)20-6-4-5-19(2)7-8-20/h10-11,15H,3-9,12H2,1-2H3/p+1/t15-/m0/s1