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

Systemtic Name: 2-[(3R,4S)-3-ethyl-1-hexanoyl-piperidin-4-yl]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-[(3R,4S)-3-ethyl-1-hexanoyl-4-piperidyl]-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-[(3R,4S)-3-ethyl-1-(1-oxohexyl)-4-piperidinyl]-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-[(3R,4S)-1-caproyl-3-ethyl-4-piperidyl]-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C21H40N3O3+ MolecularWeight: 382.5606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCC(C(C1)CC)CC(=O)NCC[NH+]2CCOCC2

Isomeric SMILES

CCCCCC(=O)N1CC[C@H]([C@H](C1)CC)CC(=O)NCC[NH+]2CCOCC2

InChI

InChI=1S/C21H39N3O3/c1-3-5-6-7-21(26)24-10-8-19(18(4-2)17-24)16-20(25)22-9-11-23-12-14-27-15-13-23/h18-19H,3-17H2,1-2H3,(H,22,25)/p+1/t18-,19-/m0/s1