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

Systemtic Name: 2-[(3R,4S)-3-ethyl-1-(phenylcarbonyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-[(3R,4S)-1-benzoyl-3-ethyl-4-piperidyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[(3R,4S)-1-benzoyl-3-ethyl-4-piperidinyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[(3R,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-[(3R,4S)-1-benzoyl-3-ethyl-4-piperidyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Formula: C22H34N3O2+ MolecularWeight: 372.52426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O2/c1-2-18-17-25(22(27)19-8-4-3-5-9-19)14-10-20(18)16-21(26)23-11-15-24-12-6-7-13-24/h3-5,8-9,18,20H,2,6-7,10-17H2,1H3,(H,23,26)/p+1/t18-,20-/m0/s1