N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Systemtic Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C24H27N4OS+ MolecularWeight: 419.56238

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC4=C(S3)C5=CC=CC=C5CC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC4=C(S3)C5=CC=CC=C5CC4

InChI

InChI=1S/C24H26N4OS/c1-27-10-12-28(13-11-27)22-9-6-17(15-25-22)16-26-24(29)21-14-19-8-7-18-4-2-3-5-20(18)23(19)30-21/h2-6,9,14-15H,7-8,10-13,16H2,1H3,(H,26,29)/p+1