2-piperidin-1-ium-1-ylethyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: 2-piperidin-1-ium-1-ylethyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C16H22NO4+ MolecularWeight: 292.35018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C16H21NO4/c18-16(19-11-10-17-8-4-1-5-9-17)15-12-20-13-6-2-3-7-14(13)21-15/h2-3,6-7,15H,1,4-5,8-12H2/p+1/t15-/m1/s1