(3S)-3-[4-[2-(2,3-dimethylphenoxy)ethanoyl]piperazin-1-ium-1-yl]oxolan-2-one

Systemtic Name: (3S)-3-[4-[2-(2,3-dimethylphenoxy)ethanoyl]piperazin-1-ium-1-yl]oxolan-2-one Openeye Name: (3S)-3-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-ium-1-yl]tetrahydrofuran-2-one CAS Name: (3S)-3-[4-[2-(2,3-dimethylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-2-oxolanone IUPAC Name: (3S)-3-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-ium-1-yl]oxolan-2-one Traditional Name: (3S)-3-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-ium-1-yl]tetrahydrofuran-2-one Formula: C18H25N2O4+ MolecularWeight: 333.4021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)N2CC[NH+](CC2)C3CCOC3=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)N2CC[NH+](CC2)[C@H]3CCOC3=O)C

InChI

InChI=1S/C18H24N2O4/c1-13-4-3-5-16(14(13)2)24-12-17(21)20-9-7-19(8-10-20)15-6-11-23-18(15)22/h3-5,15H,6-12H2,1-2H3/p+1/t15-/m0/s1