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

Systemtic Name: 4-ethyl-5-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]thiophene-2-carbohydrazide Openeye Name: 4-ethyl-5-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]thiophene-2-carbohydrazide CAS Name: 4-ethyl-5-methyl-N'-[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]-2-thiophenecarbohydrazide IUPAC Name: 4-ethyl-5-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]thiophene-2-carbohydrazide Traditional Name: 4-ethyl-5-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]thiophene-2-carbohydrazide Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H28N4O2S/c1-3-17-15-19(28-16(17)2)21(27)23-22-20(26)9-10-24-11-13-25(14-12-24)18-7-5-4-6-8-18/h4-8,15H,3,9-14H2,1-2H3,(H,22,26)(H,23,27)/p+1