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

Systemtic Name: N-[6-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide Openeye Name: N-[6-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxo-butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide CAS Name: N-[6-[[4-oxo-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]butyl]thio]-3-pyridazinyl]cyclopropanecarboxamide IUPAC Name: N-[6-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxobutyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide Traditional Name: N-[6-[[4-(4-benzylpiperazin-4-ium-1-yl)-4-keto-butyl]thio]pyridazin-3-yl]cyclopropanecarboxamide Formula: C23H30N5O2S+ MolecularWeight: 440.5816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=NN=C(C=C2)SCCCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC1C(=O)NC2=NN=C(C=C2)SCCCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N5O2S/c29-22(28-14-12-27(13-15-28)17-18-5-2-1-3-6-18)7-4-16-31-21-11-10-20(25-26-21)24-23(30)19-8-9-19/h1-3,5-6,10-11,19H,4,7-9,12-17H2,(H,24,25,30)/p+1