[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-(dimethylamino)-3-phenyl-thieno[2,3-d]imidazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-(dimethylamino)-3-phenyl-thieno[2,3-d]imidazole-5-carboxylate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-(dimethylamino)-3-phenyl-thieno[2,3-d]imidazole-5-carboxylate CAS Name: 2-(dimethylamino)-3-phenyl-5-thieno[2,3-d]imidazolecarboxylic acid [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-(dimethylamino)-3-phenylthieno[2,3-d]imidazole-5-carboxylate Traditional Name: 2-(dimethylamino)-3-phenyl-thien[2,3-d]imidazole-5-carboxylic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C25H27N6O3S+ MolecularWeight: 491.58528

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC2=C(N1C3=CC=CC=C3)SC(=C2)C(=O)OCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CN(C)C1=NC2=C(N1C3=CC=CC=C3)SC(=C2)C(=O)OCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C25H26N6O3S/c1-28(2)25-27-19-16-20(35-23(19)31(25)18-8-4-3-5-9-18)24(33)34-17-22(32)30-14-12-29(13-15-30)21-10-6-7-11-26-21/h3-11,16H,12-15,17H2,1-2H3/p+1