5-(butoxymethyl)-3-(4-piperidin-1-ium-1-ylbut-2-ynyl)oxolan-2-one

Systemtic Name: 5-(butoxymethyl)-3-(4-piperidin-1-ium-1-ylbut-2-ynyl)oxolan-2-one Openeye Name: 5-(butoxymethyl)-3-(4-piperidin-1-ium-1-ylbut-2-ynyl)tetrahydrofuran-2-one CAS Name: 5-(butoxymethyl)-3-[4-(1-piperidin-1-iumyl)but-2-ynyl]-2-oxolanone IUPAC Name: 5-(butoxymethyl)-3-(4-piperidin-1-ium-1-ylbut-2-ynyl)oxolan-2-one Traditional Name: 5-(butoxymethyl)-3-(4-piperidin-1-ium-1-ylbut-2-ynyl)tetrahydrofuran-2-one Formula: C18H30NO3+ MolecularWeight: 308.4357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1CC(C(=O)O1)CC#CC[NH+]2CCCCC2

Isomeric SMILES

CCCCOCC1CC(C(=O)O1)CC#CC[NH+]2CCCCC2

InChI

InChI=1S/C18H29NO3/c1-2-3-13-21-15-17-14-16(18(20)22-17)9-5-8-12-19-10-6-4-7-11-19/h16-17H,2-4,6-7,9-15H2,1H3/p+1