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

Systemtic Name: 4-(methylsulfanylmethyl)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide Openeye Name: 4-(methylsulfanylmethyl)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide CAS Name: 4-[(methylthio)methyl]-N'-[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]benzohydrazide IUPAC Name: 4-(methylsulfanylmethyl)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide Traditional Name: 4-[(methylthio)methyl]-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2S/c1-29-17-18-7-9-19(10-8-18)22(28)24-23-21(27)11-12-25-13-15-26(16-14-25)20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,23,27)(H,24,28)/p+1