3,4-dimethoxy-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide

Systemtic Name: 3,4-dimethoxy-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide Openeye Name: 3,4-dimethoxy-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide CAS Name: 3,4-dimethoxy-N'-[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]benzohydrazide IUPAC Name: 3,4-dimethoxy-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide Traditional Name: 3,4-dimethoxy-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide Formula: C22H29N4O4+ MolecularWeight: 413.49006

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4/c1-29-19-9-8-17(16-20(19)30-2)22(28)24-23-21(27)10-11-25-12-14-26(15-13-25)18-6-4-3-5-7-18/h3-9,16H,10-15H2,1-2H3,(H,23,27)(H,24,28)/p+1