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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(C)OC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CC1CC[NH+](CC1)C[C@H](C)OC(=O)[C@@H]2COC3=CC=CC=C3O2

InChI

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