N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[[2-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC=N2)CNC(=O)C3=CSC4=C3CCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC=N2)CNC(=O)C3=CSC4=C3CCCC4

InChI

InChI=1S/C20H26N4OS/c1-23-9-11-24(12-10-23)19-15(5-4-8-21-19)13-22-20(25)17-14-26-18-7-3-2-6-16(17)18/h4-5,8,14H,2-3,6-7,9-13H2,1H3,(H,22,25)/p+1