4-chloranyl-5-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]amino]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]amino]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[[(2S)-2-(5-methyl-2-furanyl)-2-(4-morpholin-4-iumyl)ethyl]amino]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-ylethyl]amino]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-2-phenyl-pyridazin-3-one Formula: C21H24ClN4O3+ MolecularWeight: 415.89326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)[NH+]4CCOCC4

InChI

InChI=1S/C21H23ClN4O3/c1-15-7-8-19(29-15)18(25-9-11-28-12-10-25)14-23-17-13-24-26(21(27)20(17)22)16-5-3-2-4-6-16/h2-8,13,18,23H,9-12,14H2,1H3/p+1/t18-/m0/s1