ethyl 1-(1-pyridin-2-ylcarbonylpiperidin-4-yl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(1-pyridin-2-ylcarbonylpiperidin-4-yl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[1-(pyridine-2-carbonyl)-4-piperidyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[1-[oxo(2-pyridinyl)methyl]-4-piperidinyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(1-picolinoyl-4-piperidyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=CC=CC=N3

InChI

InChI=1S/C19H27N3O3/c1-2-25-19(24)15-6-11-21(12-7-15)16-8-13-22(14-9-16)18(23)17-5-3-4-10-20-17/h3-5,10,15-16H,2,6-9,11-14H2,1H3/p+1