5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]thiophene-2-carboxamide

Systemtic Name: 5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]thiophene-2-carboxamide Openeye Name: 5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]thiophene-2-carboxamide CAS Name: 5-(4-fluorophenyl)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-2-thiophenecarboxamide IUPAC Name: 5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]thiophene-2-carboxamide Traditional Name: 5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]thiophene-2-carboxamide Formula: C21H22FN4OS+ MolecularWeight: 397.488983

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(S3)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(S3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4OS/c1-25-10-12-26(13-11-25)20-9-6-17(14-23-20)24-21(27)19-8-7-18(28-19)15-2-4-16(22)5-3-15/h2-9,14H,10-13H2,1H3,(H,24,27)/p+1