methyl (2S)-2-[2-(bromomethyl)-4,4-dimethyl-2,3-dihydropyrrol-1-ium-1-yl]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[2-(bromomethyl)-4,4-dimethyl-2,3-dihydropyrrol-1-ium-1-yl]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[2-(bromomethyl)-4,4-dimethyl-2,3-dihydropyrrol-1-ium-1-yl]-3-methyl-butanoate CAS Name: (2S)-2-[2-(bromomethyl)-4,4-dimethyl-2,3-dihydropyrrol-1-ium-1-yl]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[2-(bromomethyl)-4,4-dimethyl-2,3-dihydropyrrol-1-ium-1-yl]-3-methylbutanoate Traditional Name: (2S)-2-[2-(bromomethyl)-4,4-dimethyl-1-pyrrolin-1-ium-1-yl]-3-methyl-butyric acid methyl ester Formula: C13H23BrNO2+ MolecularWeight: 305.23122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)[N+]1=CC(CC1CBr)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)[N+]1=CC(CC1CBr)(C)C

InChI

InChI=1S/C13H23BrNO2/c1-9(2)11(12(16)17-5)15-8-13(3,4)6-10(15)7-14/h8-11H,6-7H2,1-5H3/q+1/t10?,11-/m0/s1