[(2S)-1-(4-methylpiperidin-1-ium-1-yl)propan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [(2S)-1-(4-methylpiperidin-1-ium-1-yl)propan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-methylpiperidin-1-ium-1-yl)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [(2S)-1-(4-methyl-1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylpiperidin-1-ium-1-yl)propan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [(1S)-1-methyl-2-(4-methylpiperidin-1-ium-1-yl)ethyl] ester Formula: C18H26NO4+ MolecularWeight: 320.40334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(C)OC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1CC[NH+](CC1)C[C@H](C)OC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H25NO4/c1-13-5-7-19(8-6-13)12-14(2)23-18(20)15-3-4-16-17(11-15)22-10-9-21-16/h3-4,11,13-14H,5-10,12H2,1-2H3/p+1/t14-/m0/s1