[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-4,5-dimethyl-3-thiophenecarboxylic 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-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(pivaloylamino)thiophene-3-carboxylic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C23H31N4O4S+ MolecularWeight: 459.58164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)NC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)NC(=O)C(C)(C)C)C

InChI

InChI=1S/C23H30N4O4S/c1-15-16(2)32-20(25-22(30)23(3,4)5)19(15)21(29)31-14-18(28)27-12-10-26(11-13-27)17-8-6-7-9-24-17/h6-9H,10-14H2,1-5H3,(H,25,30)/p+1