5-chloranyl-3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide

Systemtic Name: 5-chloranyl-3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide Openeye Name: 5-chloro-3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzofuran-2-carbohydrazide CAS Name: 5-chloro-3-methyl-N'-[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]-2-benzofurancarbohydrazide IUPAC Name: 5-chloro-3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide Traditional Name: 5-chloro-3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]coumarilohydrazide Formula: C23H26ClN4O3+ MolecularWeight: 441.93054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)NNC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)NNC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25ClN4O3/c1-16-19-15-17(24)7-8-20(19)31-22(16)23(30)26-25-21(29)9-10-27-11-13-28(14-12-27)18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3,(H,25,29)(H,26,30)/p+1