2-[(3R,4S)-3-ethyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[(3R,4S)-3-ethyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[(3R,4S)-3-ethyl-1-(4-pyridylmethyl)piperidin-1-ium-4-yl]-1-morpholino-ethanone CAS Name: 2-[(3R,4S)-3-ethyl-1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[(3R,4S)-3-ethyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[(3R,4S)-3-ethyl-1-(4-pyridylmethyl)piperidin-1-ium-4-yl]-1-morpholino-ethanone Formula: C19H30N3O2+ MolecularWeight: 332.4604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CCC1CC(=O)N2CCOCC2)CC3=CC=NC=C3

Isomeric SMILES

CC[C@H]1C[NH+](CC[C@H]1CC(=O)N2CCOCC2)CC3=CC=NC=C3

InChI

InChI=1S/C19H29N3O2/c1-2-17-15-21(14-16-3-6-20-7-4-16)8-5-18(17)13-19(23)22-9-11-24-12-10-22/h3-4,6-7,17-18H,2,5,8-15H2,1H3/p+1/t17-,18-/m0/s1