5-nitro-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]thiophene-2-carbohydrazide

Systemtic Name: 5-nitro-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]thiophene-2-carbohydrazide Openeye Name: 5-nitro-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]thiophene-2-carbohydrazide CAS Name: 5-nitro-N'-[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]-2-thiophenecarbohydrazide IUPAC Name: 5-nitro-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]thiophene-2-carbohydrazide Traditional Name: 5-nitro-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]thiophene-2-carbohydrazide Formula: C18H22N5O4S+ MolecularWeight: 404.46338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NNC(=O)C2=CC=C(S2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NNC(=O)C2=CC=C(S2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H21N5O4S/c24-16(19-20-18(25)15-6-7-17(28-15)23(26)27)8-9-21-10-12-22(13-11-21)14-4-2-1-3-5-14/h1-7H,8-13H2,(H,19,24)(H,20,25)/p+1