2-[(3R,4S)-3-ethyl-1-pyridin-3-ylcarbonyl-piperidin-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide

Systemtic Name: 2-[(3R,4S)-3-ethyl-1-pyridin-3-ylcarbonyl-piperidin-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-[(3R,4S)-3-ethyl-1-(pyridine-3-carbonyl)-4-piperidyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[(3R,4S)-3-ethyl-1-[oxo(3-pyridinyl)methyl]-4-piperidinyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[(3R,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-[(3R,4S)-3-ethyl-1-nicotinoyl-4-piperidyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCC1CC(=O)NCC[NH+]2CCCC2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CC[C@H]1CN(CC[C@H]1CC(=O)NCC[NH+]2CCCC2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H32N4O2/c1-2-17-16-25(21(27)19-6-5-8-22-15-19)12-7-18(17)14-20(26)23-9-13-24-10-3-4-11-24/h5-6,8,15,17-18H,2-4,7,9-14,16H2,1H3,(H,23,26)/p+1/t17-,18-/m0/s1