N-(5-methyl-1,2-oxazol-3-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-thiophene-2-carboxamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-thiophene-2-carboxamide Openeye Name: N-(5-methylisoxazol-3-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-thiophene-2-carboxamide CAS Name: N-(5-methyl-3-isoxazolyl)-4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide Traditional Name: N-(5-methylisoxazol-3-yl)-4-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-thiophene-2-carboxamide Formula: C18H20N5O4S2+ MolecularWeight: 434.5125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C2=CC(=CS2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C2=CC(=CS2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H19N5O4S2/c1-13-10-16(21-27-13)20-18(24)15-11-14(12-28-15)29(25,26)23-8-6-22(7-9-23)17-4-2-3-5-19-17/h2-5,10-12H,6-9H2,1H3,(H,20,21,24)/p+1