ethyl 4-[(3R,4R)-4-[methyl(2-pyridin-2-ylethyl)amino]-3-oxidanyl-piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3R,4R)-4-[methyl(2-pyridin-2-ylethyl)amino]-3-oxidanyl-piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3R,4R)-3-hydroxy-4-[methyl-[2-(2-pyridyl)ethyl]amino]piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3R,4R)-3-hydroxy-4-[methyl-[2-(2-pyridinyl)ethyl]amino]-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3R,4R)-3-hydroxy-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3R,4R)-3-hydroxy-4-[methyl-[2-(2-pyridyl)ethyl]amino]piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C21H35N4O3+ MolecularWeight: 391.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCC(C(C2)O)N(C)CCC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CC[C@H]([C@@H](C2)O)N(C)CCC3=CC=CC=N3

InChI

InChI=1S/C21H34N4O3/c1-3-28-21(27)24-13-8-18(9-14-24)25-15-10-19(20(26)16-25)23(2)12-7-17-6-4-5-11-22-17/h4-6,11,18-20,26H,3,7-10,12-16H2,1-2H3/p+1/t19-,20-/m1/s1