ethyl 4-[[2-ethyl-6-methyl-4-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)pyridin-3-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-ethyl-6-methyl-4-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)pyridin-3-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[2-ethyl-6-methyl-4-oxo-1-[2-(1-piperidin-1-iumyl)ethyl]-3-pyridinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-ethyl-4-keto-6-methyl-1-(2-piperidin-1-ium-1-ylethyl)nicotinoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C24H39N4O4+ MolecularWeight: 447.59086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC[NH+]2CCCCC2)C)C(=O)NC3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=O)C=C(N1CC[NH+]2CCCCC2)C)C(=O)NC3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C24H38N4O4/c1-4-20-22(23(30)25-19-9-13-27(14-10-19)24(31)32-5-2)21(29)17-18(3)28(20)16-15-26-11-7-6-8-12-26/h17,19H,4-16H2,1-3H3,(H,25,30)/p+1