4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)butanamide

Systemtic Name: 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)butanamide Openeye Name: 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)butanamide CAS Name: 4-[(6-acetamido-3-pyridazinyl)thio]-N-[2-(4-morpholin-4-iumyl)ethyl]butanamide IUPAC Name: 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)butanamide Traditional Name: 4-[(6-acetamidopyridazin-3-yl)thio]-N-(2-morpholin-4-ium-4-ylethyl)butyramide Formula: C16H26N5O3S+ MolecularWeight: 368.47434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN=C(C=C1)SCCCC(=O)NCC[NH+]2CCOCC2

Isomeric SMILES

CC(=O)NC1=NN=C(C=C1)SCCCC(=O)NCC[NH+]2CCOCC2

InChI

InChI=1S/C16H25N5O3S/c1-13(22)18-14-4-5-16(20-19-14)25-12-2-3-15(23)17-6-7-21-8-10-24-11-9-21/h4-5H,2-3,6-12H2,1H3,(H,17,23)(H,18,19,22)/p+1