(4S,6S)-4-[(4-bromanyl-1H-pyrrol-2-yl)carbonyloxymethyl]-3,4-dimethyl-5,6-dihydro-1H-pyrimidin-3-ium-6-carboxylic acid

Systemtic Name: (4S,6S)-4-[(4-bromanyl-1H-pyrrol-2-yl)carbonyloxymethyl]-3,4-dimethyl-5,6-dihydro-1H-pyrimidin-3-ium-6-carboxylic acid Openeye Name: (4S,6S)-4-[(4-bromo-1H-pyrrole-2-carbonyl)oxymethyl]-3,4-dimethyl-5,6-dihydro-1H-pyrimidin-3-ium-6-carboxylic acid CAS Name: (4S,6S)-4-[[(4-bromo-1H-pyrrol-2-yl)-oxomethoxy]methyl]-3,4-dimethyl-5,6-dihydro-1H-pyrimidin-3-ium-6-carboxylic acid IUPAC Name: (4S,6S)-4-[(4-bromo-1H-pyrrole-2-carbonyl)oxymethyl]-3,4-dimethyl-5,6-dihydro-1H-pyrimidin-3-ium-6-carboxylic acid Traditional Name: (4S,6S)-4-[(4-bromo-1H-pyrrole-2-carbonyl)oxymethyl]-3,4-dimethyl-5,6-dihydro-1H-pyrimidin-3-ium-6-carboxylic acid Formula: C13H17BrN3O4+ MolecularWeight: 359.19578

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(NC=[N+]1C)C(=O)O)COC(=O)C2=CC(=CN2)Br

Isomeric SMILES

C[C@]1(C[C@H](NC=[N+]1C)C(=O)O)COC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C13H16BrN3O4/c1-13(4-10(11(18)19)16-7-17(13)2)6-21-12(20)9-3-8(14)5-15-9/h3,5,7,10H,4,6H2,1-2H3,(H2,15,18,19,20)/p+1/t10-,13-/m0/s1