4-fluoranyl-N-[6-[4-(2-morpholin-4-ium-4-ylethylamino)-4-oxidanylidene-butyl]sulfanylpyridazin-3-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[6-[4-(2-morpholin-4-ium-4-ylethylamino)-4-oxidanylidene-butyl]sulfanylpyridazin-3-yl]benzamide Openeye Name: 4-fluoro-N-[6-[4-(2-morpholin-4-ium-4-ylethylamino)-4-oxo-butyl]sulfanylpyridazin-3-yl]benzamide CAS Name: 4-fluoro-N-[6-[[4-[2-(4-morpholin-4-iumyl)ethylamino]-4-oxobutyl]thio]-3-pyridazinyl]benzamide IUPAC Name: 4-fluoro-N-[6-[4-(2-morpholin-4-ium-4-ylethylamino)-4-oxobutyl]sulfanylpyridazin-3-yl]benzamide Traditional Name: 4-fluoro-N-[6-[[4-keto-4-(2-morpholin-4-ium-4-ylethylamino)butyl]thio]pyridazin-3-yl]benzamide Formula: C21H27FN5O3S+ MolecularWeight: 448.534183

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)CCCSC2=NN=C(C=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)CCCSC2=NN=C(C=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN5O3S/c22-17-5-3-16(4-6-17)21(29)24-18-7-8-20(26-25-18)31-15-1-2-19(28)23-9-10-27-11-13-30-14-12-27/h3-8H,1-2,9-15H2,(H,23,28)(H,24,25,29)/p+1