methyl 5-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C18H24N4O3S+2 MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C(=O)OC

InChI

InChI=1S/C18H22N4O3S/c1-13-11-14(18(24)25-2)17(26-13)20-16(23)12-21-7-9-22(10-8-21)15-5-3-4-6-19-15/h3-6,11H,7-10,12H2,1-2H3,(H,20,23)/p+2