methyl (2R)-2-[2-(bromomethyl)-2,4,4-trimethyl-3H-pyrrol-1-ium-1-yl]-2-phenyl-ethanoate

Systemtic Name: methyl (2R)-2-[2-(bromomethyl)-2,4,4-trimethyl-3H-pyrrol-1-ium-1-yl]-2-phenyl-ethanoate Openeye Name: methyl (2R)-2-[2-(bromomethyl)-2,4,4-trimethyl-3H-pyrrol-1-ium-1-yl]-2-phenyl-acetate CAS Name: (2R)-2-[2-(bromomethyl)-2,4,4-trimethyl-3H-pyrrol-1-ium-1-yl]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2R)-2-[2-(bromomethyl)-2,4,4-trimethyl-3H-pyrrol-1-ium-1-yl]-2-phenylacetate Traditional Name: (2R)-2-[2-(bromomethyl)-2,4,4-trimethyl-1-pyrrolin-1-ium-1-yl]-2-phenyl-acetic acid methyl ester Formula: C17H23BrNO2+ MolecularWeight: 353.27402

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC([N+](=C1)C(C2=CC=CC=C2)C(=O)OC)(C)CBr)C

Isomeric SMILES

CC1(CC([N+](=C1)[C@H](C2=CC=CC=C2)C(=O)OC)(C)CBr)C

InChI

InChI=1S/C17H23BrNO2/c1-16(2)10-17(3,11-18)19(12-16)14(15(20)21-4)13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3/q+1/t14-,17?/m1/s1