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

Systemtic Name: N-[6-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]sulfanylpyridazin-3-yl]ethanamide Openeye Name: N-[6-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxo-butyl]sulfanylpyridazin-3-yl]acetamide CAS Name: N-[6-[[4-oxo-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]butyl]thio]-3-pyridazinyl]acetamide IUPAC Name: N-[6-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxobutyl]sulfanylpyridazin-3-yl]acetamide Traditional Name: N-[6-[[4-(4-benzylpiperazin-4-ium-1-yl)-4-keto-butyl]thio]pyridazin-3-yl]acetamide Formula: C21H28N5O2S+ MolecularWeight: 414.54432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN=C(C=C1)SCCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=NN=C(C=C1)SCCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O2S/c1-17(27)22-19-9-10-20(24-23-19)29-15-5-8-21(28)26-13-11-25(12-14-26)16-18-6-3-2-4-7-18/h2-4,6-7,9-10H,5,8,11-16H2,1H3,(H,22,23,27)/p+1