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

Systemtic Name: methyl (2S,3S)-2-[2-(bromomethyl)-4,4-dimethyl-2,3-dihydropyrrol-1-ium-1-yl]-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-[2-(bromomethyl)-4,4-dimethyl-2,3-dihydropyrrol-1-ium-1-yl]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[2-(bromomethyl)-4,4-dimethyl-2,3-dihydropyrrol-1-ium-1-yl]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[2-(bromomethyl)-4,4-dimethyl-2,3-dihydropyrrol-1-ium-1-yl]-3-methylpentanoate Traditional Name: (2S,3S)-2-[2-(bromomethyl)-4,4-dimethyl-1-pyrrolin-1-ium-1-yl]-3-methyl-valeric acid methyl ester Formula: C14H25BrNO2+ MolecularWeight: 319.2578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25BrNO2/c1-6-10(2)12(13(17)18-5)16-9-14(3,4)7-11(16)8-15/h9-12H,6-8H2,1-5H3/q+1/t10-,11?,12-/m0/s1