[4-[[(1S)-6-bromanyloxy-5-methoxy-2-methyl-2,3-dihydro-1H-isoindol-2-ium-1-yl]methyl]phenyl] ethanoate

Systemtic Name: [4-[[(1S)-6-bromanyloxy-5-methoxy-2-methyl-2,3-dihydro-1H-isoindol-2-ium-1-yl]methyl]phenyl] ethanoate Openeye Name: [4-[[(1S)-6-bromooxy-5-methoxy-2-methyl-isoindolin-2-ium-1-yl]methyl]phenyl] acetate CAS Name: acetic acid [4-[[(1S)-6-bromooxy-5-methoxy-2-methyl-2,3-dihydro-1H-isoindol-2-ium-1-yl]methyl]phenyl] ester IUPAC Name: [4-[[(1S)-6-bromooxy-5-methoxy-2-methyl-2,3-dihydro-1H-isoindol-2-ium-1-yl]methyl]phenyl] acetate Traditional Name: acetic acid [4-[[(1S)-6-bromooxy-5-methoxy-2-methyl-isoindolin-2-ium-1-yl]methyl]phenyl] ester Formula: C19H21BrNO4+ MolecularWeight: 407.27834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)CC2C3=CC(=C(C=C3C[NH+]2C)OC)OBr

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C[C@H]2C3=CC(=C(C=C3C[NH+]2C)OC)OBr

InChI

InChI=1S/C19H20BrNO4/c1-12(22)24-15-6-4-13(5-7-15)8-17-16-10-19(25-20)18(23-3)9-14(16)11-21(17)2/h4-7,9-10,17H,8,11H2,1-3H3/p+1/t17-/m0/s1