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

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H25N4OS+ MolecularWeight: 357.493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4OS/c1-22-8-10-23(11-9-22)18-7-6-14(12-20-18)21-19(24)16-13-25-17-5-3-2-4-15(16)17/h6-7,12-13H,2-5,8-11H2,1H3,(H,21,24)/p+1