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

Systemtic Name: 3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1-benzothiophene-2-carbohydrazide Openeye Name: 3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzothiophene-2-carbohydrazide CAS Name: 3-methyl-N'-[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]-1-benzothiophene-2-carbohydrazide IUPAC Name: 3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1-benzothiophene-2-carbohydrazide Traditional Name: 3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzothiophene-2-carbohydrazide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)NNC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)NNC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2S/c1-17-19-9-5-6-10-20(19)30-22(17)23(29)25-24-21(28)11-12-26-13-15-27(16-14-26)18-7-3-2-4-8-18/h2-10H,11-16H2,1H3,(H,24,28)(H,25,29)/p+1