N-[(E)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-1-pyridin-3-yl-prop-1-en-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(E)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-1-pyridin-3-yl-prop-1-en-2-yl]thiophene-2-carboxamide Openeye Name: N-[(E)-1-(4-methylpiperazin-4-ium-1-carbonyl)-2-(3-pyridyl)vinyl]thiophene-2-carboxamide CAS Name: N-[(E)-3-(4-methyl-1-piperazin-4-iumyl)-3-oxo-1-(3-pyridinyl)prop-1-en-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(E)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]thiophene-2-carboxamide Traditional Name: N-[(E)-1-(4-methylpiperazin-4-ium-1-carbonyl)-2-(3-pyridyl)vinyl]thiophene-2-carboxamide Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(=CC2=CN=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C(=C\C2=CN=CC=C2)/NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H20N4O2S/c1-21-7-9-22(10-8-21)18(24)15(12-14-4-2-6-19-13-14)20-17(23)16-5-3-11-25-16/h2-6,11-13H,7-10H2,1H3,(H,20,23)/p+1/b15-12+