3-methyl-4-nitro-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide

Systemtic Name: 3-methyl-4-nitro-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide Openeye Name: 3-methyl-4-nitro-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide CAS Name: 3-methyl-4-nitro-N'-[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]benzohydrazide IUPAC Name: 3-methyl-4-nitro-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide Traditional Name: 3-methyl-4-nitro-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide Formula: C21H26N5O4+ MolecularWeight: 412.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4/c1-16-15-17(7-8-19(16)26(29)30)21(28)23-22-20(27)9-10-24-11-13-25(14-12-24)18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3,(H,22,27)(H,23,28)/p+1