methyl 3-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C18H21N4O4S2+ MolecularWeight: 421.51374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)CC3=C[N+]4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)CC3=C[N+]4=CC=CC=C4N3

InChI

InChI=1S/C18H20N4O4S2/c1-26-18(23)17-15(5-11-27-17)28(24,25)22-9-7-20(8-10-22)12-14-13-21-6-3-2-4-16(21)19-14/h2-6,11,13H,7-10,12H2,1H3/p+1