N'-cyclopropylcarbonyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzohydrazide

Systemtic Name: N'-cyclopropylcarbonyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzohydrazide Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N'-(cyclopropanecarbonyl)benzohydrazide CAS Name: N'-[cyclopropyl(oxo)methyl]-4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzohydrazide IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N'-(cyclopropanecarbonyl)benzohydrazide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N'-(cyclopropanecarbonyl)benzohydrazide Formula: C22H27N4O4S+ MolecularWeight: 443.53918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC1C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O4S/c27-21(18-6-7-18)23-24-22(28)19-8-10-20(11-9-19)31(29,30)26-14-12-25(13-15-26)16-17-4-2-1-3-5-17/h1-5,8-11,18H,6-7,12-16H2,(H,23,27)(H,24,28)/p+1