3-fluoranyl-4-methoxy-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide

Systemtic Name: 3-fluoranyl-4-methoxy-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide Openeye Name: 3-fluoro-4-methoxy-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide CAS Name: 3-fluoro-4-methoxy-N'-[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]benzohydrazide IUPAC Name: 3-fluoro-4-methoxy-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide Traditional Name: 3-fluoro-4-methoxy-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide Formula: C21H26FN4O3+ MolecularWeight: 401.454543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)F

InChI

InChI=1S/C21H25FN4O3/c1-29-19-8-7-16(15-18(19)22)21(28)24-23-20(27)9-10-25-11-13-26(14-12-25)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3,(H,23,27)(H,24,28)/p+1