3-methyl-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]but-2-en-1-one

Systemtic Name: 3-methyl-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]but-2-en-1-one Openeye Name: 3-methyl-1-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]but-2-en-1-one CAS Name: 3-methyl-1-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]-2-buten-1-one IUPAC Name: 3-methyl-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]but-2-en-1-one Traditional Name: 3-methyl-1-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]but-2-en-1-one Formula: C14H25N2O2+ MolecularWeight: 253.3605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CC[NH+](CC1)CC2CCCO2)C

Isomeric SMILES

CC(=CC(=O)N1CC[NH+](CC1)C[C@H]2CCCO2)C

InChI

InChI=1S/C14H24N2O2/c1-12(2)10-14(17)16-7-5-15(6-8-16)11-13-4-3-9-18-13/h10,13H,3-9,11H2,1-2H3/p+1/t13-/m1/s1