2-[(3R)-3-phenylpiperidin-1-ium-1-yl]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: 2-[(3R)-3-phenylpiperidin-1-ium-1-yl]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: 2-[(3R)-3-phenylpiperidin-1-ium-1-yl]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid 2-[(3R)-3-phenyl-1-piperidin-1-iumyl]ethyl ester IUPAC Name: 2-[(3R)-3-phenylpiperidin-1-ium-1-yl]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid 2-[(3R)-3-phenylpiperidin-1-ium-1-yl]ethyl ester Formula: C22H26NO4+ MolecularWeight: 368.44614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCOC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCOC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H25NO4/c24-22(18-8-9-20-21(15-18)26-14-13-25-20)27-12-11-23-10-4-7-19(16-23)17-5-2-1-3-6-17/h1-3,5-6,8-9,15,19H,4,7,10-14,16H2/p+1/t19-/m0/s1