methyl 6-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-3-(thiophen-3-ylcarbonylamino)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 6-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-3-(thiophen-3-ylcarbonylamino)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 6-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-3-(thiophene-3-carbonylamino)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]-6-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-3-(thiophene-3-carbonylamino)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-3-(3-thenoylamino)thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C24H24N5O3S2+ MolecularWeight: 494.60906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)N=C(C=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4)NC(=O)C5=CSC=C5

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)N=C(C=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4)NC(=O)C5=CSC=C5

InChI

InChI=1S/C24H23N5O3S2/c1-32-24(31)21-20(27-22(30)16-7-13-33-15-16)18-6-5-17(26-23(18)34-21)14-28-9-11-29(12-10-28)19-4-2-3-8-25-19/h2-8,13,15H,9-12,14H2,1H3,(H,27,30)/p+1