1-[4-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]-2-pyridin-4-yl-ethanone

Systemtic Name: 1-[4-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]-2-pyridin-4-yl-ethanone Openeye Name: 1-[4-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-1-ium-3-yl]-1-piperidyl]-2-(4-pyridyl)ethanone CAS Name: 1-[4-[(3R)-1-(2,2-dimethylpropyl)-3-pyrrolidin-1-iumyl]-1-piperidinyl]-2-pyridin-4-ylethanone IUPAC Name: 1-[4-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]-2-pyridin-4-ylethanone Traditional Name: 1-[4-[(3R)-1-neopentylpyrrolidin-1-ium-3-yl]piperidino]-2-(4-pyridyl)ethanone Formula: C21H34N3O+ MolecularWeight: 344.51416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCC(C1)C2CCN(CC2)C(=O)CC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)C[NH+]1CC[C@@H](C1)C2CCN(CC2)C(=O)CC3=CC=NC=C3

InChI

InChI=1S/C21H33N3O/c1-21(2,3)16-23-11-6-19(15-23)18-7-12-24(13-8-18)20(25)14-17-4-9-22-10-5-17/h4-5,9-10,18-19H,6-8,11-16H2,1-3H3/p+1/t19-/m0/s1