(2R)-2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-[(5S)-5-methyl-1,4-dihydroimidazol-3-ium-5-yl]propanoate

Systemtic Name: (2R)-2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-[(5S)-5-methyl-1,4-dihydroimidazol-3-ium-5-yl]propanoate Openeye Name: (2R)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-[(5S)-5-methyl-1,4-dihydroimidazol-3-ium-5-yl]propanoate CAS Name: (2R)-2-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-3-[(5S)-5-methyl-1,4-dihydroimidazol-3-ium-5-yl]propanoate IUPAC Name: (2R)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-[(5S)-5-methyl-1,4-dihydroimidazol-3-ium-5-yl]propanoate Traditional Name: (2R)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-[(4S)-4-methyl-2-imidazolin-1-ium-4-yl]propionate Formula: C12H15BrN4O3 MolecularWeight: 343.1765

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[NH+]=CN1)CC(C(=O)[O-])NC(=O)C2=CC(=CN2)Br

Isomeric SMILES

C[C@@]1(C[NH+]=CN1)C[C@H](C(=O)[O-])NC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C12H15BrN4O3/c1-12(5-14-6-16-12)3-9(11(19)20)17-10(18)8-2-7(13)4-15-8/h2,4,6,9,15H,3,5H2,1H3,(H,14,16)(H,17,18)(H,19,20)/t9-,12+/m1/s1