N-[6-[4-oxidanylidene-4-(4-phenethylpiperazin-4-ium-1-yl)butyl]sulfanylpyridazin-3-yl]ethanamide

Systemtic Name: N-[6-[4-oxidanylidene-4-(4-phenethylpiperazin-4-ium-1-yl)butyl]sulfanylpyridazin-3-yl]ethanamide Openeye Name: N-[6-[4-oxo-4-(4-phenethylpiperazin-4-ium-1-yl)butyl]sulfanylpyridazin-3-yl]acetamide CAS Name: N-[6-[[4-oxo-4-(4-phenethyl-1-piperazin-4-iumyl)butyl]thio]-3-pyridazinyl]acetamide IUPAC Name: N-[6-[4-oxo-4-(4-phenethylpiperazin-4-ium-1-yl)butyl]sulfanylpyridazin-3-yl]acetamide Traditional Name: N-[6-[[4-keto-4-(4-phenethylpiperazin-4-ium-1-yl)butyl]thio]pyridazin-3-yl]acetamide Formula: C22H30N5O2S+ MolecularWeight: 428.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN=C(C=C1)SCCCC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=NN=C(C=C1)SCCCC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H29N5O2S/c1-18(28)23-20-9-10-21(25-24-20)30-17-5-8-22(29)27-15-13-26(14-16-27)12-11-19-6-3-2-4-7-19/h2-4,6-7,9-10H,5,8,11-17H2,1H3,(H,23,24,28)/p+1